CID 3827633

2-chloro-3-(trifluoromethyl)benzoyl chloride

Structural Information

Molecular Formula
C8H3Cl2F3O
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)Cl)C(=O)Cl
InChI
InChI=1S/C8H3Cl2F3O/c9-6-4(7(10)14)2-1-3-5(6)8(11,12)13/h1-3H
InChIKey
PKEMXTIVOBWBNO-UHFFFAOYSA-N
Compound name
2-chloro-3-(trifluoromethyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

241.95131 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.958586 137.4
[M+Na]+ 264.940528 148.9
[M-H]- 240.944034 137.3
[M+NH4]+ 259.985133 156.6
[M+K]+ 280.914468 143.2
[M+H-H2O]+ 224.948570 131.7
[M+HCOO]- 286.949511 147.5
[M+CH3COO]- 300.965161 189.0
[M+Na-2H]- 262.925976 141.6
[M]+ 241.95076142 137.1
[M]- 241.95185858 137.1
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