CID 2773536

2-chloro-3,6-difluorobenzoyl chloride

Structural Information

Molecular Formula
C7H2Cl2F2O
SMILES
C1=CC(=C(C(=C1F)C(=O)Cl)Cl)F
InChI
InChI=1S/C7H2Cl2F2O/c8-6-4(11)2-1-3(10)5(6)7(9)12/h1-2H
InChIKey
CBFPZKKUVNEIFF-UHFFFAOYSA-N
Compound name
2-chloro-3,6-difluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

209.94508 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.952356 129.6
[M+Na]+ 232.934298 141.9
[M-H]- 208.937804 131.0
[M+NH4]+ 227.978903 150.3
[M+K]+ 248.908238 136.6
[M+H-H2O]+ 192.942340 125.0
[M+HCOO]- 254.943281 142.6
[M+CH3COO]- 268.958931 184.8
[M+Na-2H]- 230.919746 133.6
[M]+ 209.94453142 131.0
[M]- 209.94562858 131.0
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