CID 49767724

[2-chloro-6-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate

Structural Information

Molecular Formula
C16H11ClF3NO3
SMILES
CC(=O)OC1=C(C=CC=C1Cl)C(=O)NC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C16H11ClF3NO3/c1-9(22)24-14-12(3-2-4-13(14)17)15(23)21-11-7-5-10(6-8-11)16(18,19)20/h2-8H,1H3,(H,21,23)
InChIKey
BLRXSMWGGGDUJM-UHFFFAOYSA-N
Compound name
[2-chloro-6-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.03796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.04524 174.3
[M+Na]+ 380.02718 183.4
[M-H]- 356.03068 177.6
[M+NH4]+ 375.07178 187.8
[M+K]+ 396.00112 178.0
[M+H-H2O]+ 340.03522 165.0
[M+HCOO]- 402.03616 188.8
[M+CH3COO]- 416.05181 212.8
[M+Na-2H]- 378.01263 175.9
[M]+ 357.03741 174.6
[M]- 357.03851 174.6
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

No patent data available for this compound.