CID 3849155

3-chloro-5-fluorobenzoyl chloride

Structural Information

Molecular Formula
C7H3Cl2FO
SMILES
C1=C(C=C(C=C1F)Cl)C(=O)Cl
InChI
InChI=1S/C7H3Cl2FO/c8-5-1-4(7(9)11)2-6(10)3-5/h1-3H
InChIKey
CQQPZYVMGWYJOO-UHFFFAOYSA-N
Compound name
3-chloro-5-fluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

191.9545 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.961776 128.5
[M+Na]+ 214.943718 139.9
[M-H]- 190.947224 130.9
[M+NH4]+ 209.988323 149.7
[M+K]+ 230.917658 134.9
[M+H-H2O]+ 174.951760 124.6
[M+HCOO]- 236.952701 142.5
[M+CH3COO]- 250.968351 180.9
[M+Na-2H]- 212.929166 133.7
[M]+ 191.95395142 130.6
[M]- 191.95504858 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe