CID 2760733

4-trifluoromethylbenzoic anhydride

Structural Information

Molecular Formula
C16H8F6O3
SMILES
C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H8F6O3/c17-15(18,19)11-5-1-9(2-6-11)13(23)25-14(24)10-3-7-12(8-4-10)16(20,21)22/h1-8H
InChIKey
FNAWJOBKLWLHTA-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

687
Patents

362.03775 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04503 174.1
[M+Na]+ 385.02697 183.0
[M-H]- 361.03047 173.4
[M+NH4]+ 380.07157 186.3
[M+K]+ 401.00091 178.6
[M+H-H2O]+ 345.03501 161.9
[M+HCOO]- 407.03595 187.1
[M+CH3COO]- 421.05160 211.1
[M+Na-2H]- 383.01242 175.4
[M]+ 362.03720 167.8
[M]- 362.03830 167.8
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