CID 3074691

160776-86-3

Structural Information

Molecular Formula
C16H12ClF3N2O3
SMILES
C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)O)NC(=O)NC(=O)C(F)(F)F
InChI
InChI=1S/C16H12ClF3N2O3/c17-10-6-7-12(23)11(8-10)13(9-4-2-1-3-5-9)21-15(25)22-14(24)16(18,19)20/h1-8,13,23H,(H2,21,22,24,25)
InChIKey
ZQHKBEQQBFPOGJ-UHFFFAOYSA-N
Compound name
N-[[(5-chloro-2-hydroxyphenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.04886 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.05614 176.6
[M+Na]+ 395.03808 184.0
[M+NH4]+ 390.08268 180.0
[M+K]+ 411.01202 180.3
[M-H]- 371.04158 174.5
[M+Na-2H]- 393.02353 180.7
[M]+ 372.04831 176.7
[M]- 372.04941 176.7
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.