CID 2734709

3-fluoro-4-(trifluoromethyl)benzoyl chloride

Structural Information

Molecular Formula
C8H3ClF4O
SMILES
C1=CC(=C(C=C1C(=O)Cl)F)C(F)(F)F
InChI
InChI=1S/C8H3ClF4O/c9-7(14)4-1-2-5(6(10)3-4)8(11,12)13/h1-3H
InChIKey
DPDAEMNQJYDHRQ-UHFFFAOYSA-N
Compound name
3-fluoro-4-(trifluoromethyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
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

No literature data available for this compound.

Patent stripe

patents stripe