CID 135616943

4-(6-(trifluoromethyl)-1h-benzo[d]imidazol-2-yl)phenol

Structural Information

Molecular Formula
C14H9F3N2O
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C14H9F3N2O/c15-14(16,17)9-3-6-11-12(7-9)19-13(18-11)8-1-4-10(20)5-2-8/h1-7,20H,(H,18,19)
InChIKey
NXVOCXHGCVHFSN-UHFFFAOYSA-N
Compound name
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.0667 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07398 158.1
[M+Na]+ 301.05592 169.7
[M-H]- 277.05942 157.9
[M+NH4]+ 296.10052 173.3
[M+K]+ 317.02986 162.5
[M+H-H2O]+ 261.06396 148.3
[M+HCOO]- 323.06490 174.2
[M+CH3COO]- 337.08055 169.3
[M+Na-2H]- 299.04137 163.4
[M]+ 278.06615 154.5
[M]- 278.06725 154.5
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.