CID 2773784

3-chloro-2-fluoro-6-(trifluoromethyl)benzoyl chloride

Structural Information

Molecular Formula
C8H2Cl2F4O
SMILES
C1=CC(=C(C(=C1C(F)(F)F)C(=O)Cl)F)Cl
InChI
InChI=1S/C8H2Cl2F4O/c9-4-2-1-3(8(12,13)14)5(6(4)11)7(10)15/h1-2H
InChIKey
QRJJXSXDJDIRPI-UHFFFAOYSA-N
Compound name
3-chloro-2-fluoro-6-(trifluoromethyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

259.9419 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.94918 138.8
[M+Na]+ 282.93112 151.2
[M-H]- 258.93462 137.7
[M+NH4]+ 277.97572 157.5
[M+K]+ 298.90506 145.2
[M+H-H2O]+ 242.93916 132.4
[M+HCOO]- 304.94010 147.9
[M+CH3COO]- 318.95575 192.9
[M+Na-2H]- 280.91657 141.8
[M]+ 259.94135 137.6
[M]- 259.94245 137.6
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