CID 2736128

2,6-bis(trifluoromethyl)benzoyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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

No literature data available for this compound.

Patent stripe

patents stripe