CID 605680

4-fluoro-2-(trifluoromethyl)benzoyl chloride

Structural Information

Molecular Formula
C8H3ClF4O
SMILES
C1=CC(=C(C=C1F)C(F)(F)F)C(=O)Cl
InChI
InChI=1S/C8H3ClF4O/c9-7(14)5-2-1-4(10)3-6(5)8(11,12)13/h1-3H
InChIKey
OEYHURRIOWWRMD-UHFFFAOYSA-N
Compound name
4-fluoro-2-(trifluoromethyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

490
Patents

225.98085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98813 135.1
[M+Na]+ 248.97007 146.4
[M-H]- 224.97357 134.3
[M+NH4]+ 244.01467 154.5
[M+K]+ 264.94401 141.8
[M+H-H2O]+ 208.97811 127.8
[M+HCOO]- 270.97905 149.2
[M+CH3COO]- 284.99470 187.2
[M+Na-2H]- 246.95552 139.4
[M]+ 225.98030 132.3
[M]- 225.98140 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe