CID 4552

153587-01-0

Structural Information

Molecular Formula
C15H8F6N2O2
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)C(F)(F)F)O
InChI
InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
InChIKey
YLFMCMWKHSDUCT-UHFFFAOYSA-N
Compound name
3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

243
References

220
Patents

362.049 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.05628 175.9
[M+Na]+ 385.03822 189.3
[M-H]- 361.04172 172.7
[M+NH4]+ 380.08282 187.9
[M+K]+ 401.01216 181.3
[M+H-H2O]+ 345.04626 164.1
[M+HCOO]- 407.04720 186.9
[M+CH3COO]- 421.06285 208.1
[M+Na-2H]- 383.02367 178.5
[M]+ 362.04845 169.9
[M]- 362.04955 169.9
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