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

24
Patents

275.97766 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.984936 145.0
[M+Na]+ 298.966878 156.4
[M-H]- 274.970384 141.8
[M+NH4]+ 294.011483 162.3
[M+K]+ 314.940818 151.2
[M+H-H2O]+ 258.974920 136.0
[M+HCOO]- 320.975861 155.0
[M+CH3COO]- 334.991511 195.8
[M+Na-2H]- 296.952326 148.3
[M]+ 275.97711142 139.4
[M]- 275.97820858 139.4
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