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 178.0
[M+Na]+ 395.03808 184.6
[M-H]- 371.04158 179.6
[M+NH4]+ 390.08268 189.5
[M+K]+ 411.01202 179.1
[M+H-H2O]+ 355.04612 168.8
[M+HCOO]- 417.04706 191.2
[M+CH3COO]- 431.06271 214.7
[M+Na-2H]- 393.02353 179.2
[M]+ 372.04831 174.8
[M]- 372.04941 174.8
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

No patent data available for this compound.