PubChemLite - Chloramphenicol succinate (C15H16Cl2N2O8)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]

InChI

InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1

InChIKey

LIRCDOVJWUGTMW-ZWNOBZJWSA-N

Compound name

4-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	423.03566	182.9
[M+Na]+	445.01760	184.8
[M-H]-	421.02110	182.6
[M+NH4]+	440.06220	191.0
[M+K]+	460.99154	178.7
[M+H-H2O]+	405.02564	183.3
[M+HCOO]-	467.02658	191.9
[M+CH3COO]-	481.04223	212.5
[M+Na-2H]-	443.00305	181.4
[M]+	422.02783	185.9
[M]-	422.02893	185.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.03566

182.9

[M+Na]+

445.01760

184.8

[M-H]-

421.02110

182.6

[M+NH4]+

440.06220

191.0

[M+K]+

460.99154

178.7

[M+H-H2O]+

405.02564

183.3

[M+HCOO]-

467.02658

191.9

[M+CH3COO]-

481.04223

212.5

[M+Na-2H]-

443.00305

181.4

[M]+

422.02783

185.9

[M]-

422.02893

185.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Chloramphenicol succinate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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