CID 5081913

Imd-0354

Structural Information

Molecular Formula
C15H8ClF6NO2
SMILES
C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
InChIKey
CHILCFMQWMQVAL-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

95
References

1328
Patents

383.01477 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.02205 184.6
[M+Na]+ 406.00399 190.0
[M+NH4]+ 401.04859 186.0
[M+K]+ 421.97793 185.9
[M-H]- 382.00749 179.1
[M+Na-2H]- 403.98944 185.8
[M]+ 383.01422 183.6
[M]- 383.01532 183.6
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

patents stripe