CID 3866299

4-chloro-3-fluorobenzoyl chloride

Structural Information

Molecular Formula
C7H3Cl2FO
SMILES
C1=CC(=C(C=C1C(=O)Cl)F)Cl
InChI
InChI=1S/C7H3Cl2FO/c8-5-2-1-4(7(9)11)3-6(5)10/h1-3H
InChIKey
HJMGUKOEVZJUAO-UHFFFAOYSA-N
Compound name
4-chloro-3-fluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

191.9545 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.96178 128.5
[M+Na]+ 214.94372 139.9
[M-H]- 190.94722 130.9
[M+NH4]+ 209.98832 149.7
[M+K]+ 230.91766 134.9
[M+H-H2O]+ 174.95176 124.6
[M+HCOO]- 236.95270 142.5
[M+CH3COO]- 250.96835 180.9
[M+Na-2H]- 212.92917 133.7
[M]+ 191.95395 130.6
[M]- 191.95505 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