CID 599431

25753-15-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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

No literature data available for this compound.

Patent stripe

patents stripe