CID 25113101

Bromamphenicol

Structural Information

Molecular Formula
C11H12Br2N2O5
SMILES
C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-]
InChI
InChI=1S/C11H12Br2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
InChIKey
UWOHGNMWBGIRAQ-RKDXNWHRSA-N
Compound name
2,2-dibromo-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

409.9113 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.91858 172.5
[M+Na]+ 432.90052 177.5
[M-H]- 408.90402 175.8
[M+NH4]+ 427.94512 184.7
[M+K]+ 448.87446 158.7
[M+H-H2O]+ 392.90856 180.2
[M+HCOO]- 454.90950 184.4
[M+CH3COO]- 468.92515 211.7
[M+Na-2H]- 430.88597 174.5
[M]+ 409.91075 203.3
[M]- 409.91185 203.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe