CID 2773671

6-chloro-2-fluoro-3-methylbenzoyl chloride

Structural Information

Molecular Formula
C8H5Cl2FO
SMILES
CC1=C(C(=C(C=C1)Cl)C(=O)Cl)F
InChI
InChI=1S/C8H5Cl2FO/c1-4-2-3-5(9)6(7(4)11)8(10)12/h2-3H,1H3
InChIKey
NWTPJKCARLIKFP-UHFFFAOYSA-N
Compound name
6-chloro-2-fluoro-3-methylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

205.97015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.97743 132.4
[M+Na]+ 228.95937 144.2
[M-H]- 204.96287 135.0
[M+NH4]+ 224.00397 153.4
[M+K]+ 244.93331 139.1
[M+H-H2O]+ 188.96741 128.5
[M+HCOO]- 250.96835 146.1
[M+CH3COO]- 264.98400 185.0
[M+Na-2H]- 226.94482 136.4
[M]+ 205.96960 135.2
[M]- 205.97070 135.2
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