CID 198032

Benzimidazol-6-ol, 5-chloro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8H4ClF3N2O
SMILES
C1=C2C(=CC(=C1Cl)O)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8H4ClF3N2O/c9-3-1-4-5(2-6(3)15)14-7(13-4)8(10,11)12/h1-2,15H,(H,13,14)
InChIKey
WVFCYJMVRGLCPI-UHFFFAOYSA-N
Compound name
6-chloro-2-(trifluoromethyl)-1H-benzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.99643 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00371 141.1
[M+Na]+ 258.98565 154.6
[M-H]- 234.98915 137.8
[M+NH4]+ 254.03025 159.3
[M+K]+ 274.95959 147.9
[M+H-H2O]+ 218.99369 133.5
[M+HCOO]- 280.99463 153.2
[M+CH3COO]- 295.01028 182.9
[M+Na-2H]- 256.97110 146.9
[M]+ 235.99588 139.6
[M]- 235.99698 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.