PubChemLite - Chebi:78107 (C17H14ClF7O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=C(C(=C1F)F)COC(=O)C2C(C2(C)C)/C=C(/C(F)(F)F)\Cl)F)F

InChI

InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-

InChIKey

ZFHGXWPMULPQSE-WTKPLQERSA-N

Compound name

(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

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]+	419.06435	166.4
[M+Na]+	441.04629	179.7
[M-H]-	417.04979	166.0
[M+NH4]+	436.09089	176.1
[M+K]+	457.02023	172.4
[M+H-H2O]+	401.05433	156.6
[M+HCOO]-	463.05527	174.2
[M+CH3COO]-	477.07092	228.1
[M+Na-2H]-	439.03174	163.1
[M]+	418.05652	166.7
[M]-	418.05762	166.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.06435

166.4

[M+Na]+

441.04629

179.7

[M-H]-

417.04979

166.0

[M+NH4]+

436.09089

176.1

[M+K]+

457.02023

172.4

[M+H-H2O]+

401.05433

156.6

[M+HCOO]-

463.05527

174.2

[M+CH3COO]-

477.07092

228.1

[M+Na-2H]-

439.03174

163.1

[M]+

418.05652

166.7

[M]-

418.05762

166.7

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

Chebi:78107

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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