CID 2736126

2,4-bis(trifluoromethyl)benzoyl chloride

Structural Information

Molecular Formula
C9H3ClF6O
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl
InChI
InChI=1S/C9H3ClF6O/c10-7(17)5-2-1-4(8(11,12)13)3-6(5)9(14,15)16/h1-3H
InChIKey
TZXHEDOCQVTEPT-UHFFFAOYSA-N
Compound name
2,4-bis(trifluoromethyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

275.97766 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98494 168.1
[M+Na]+ 298.96688 173.6
[M+NH4]+ 294.01148 170.4
[M+K]+ 314.94082 169.4
[M-H]- 274.97038 161.3
[M+Na-2H]- 296.95233 168.6
[M]+ 275.97711 166.8
[M]- 275.97821 166.8
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