CID 55951

2-(trifluoromethyl)benzimidazole-4,7-diol

Structural Information

Molecular Formula
C8H5F3N2O2
SMILES
C1=CC(=C2C(=C1O)NC(=N2)C(F)(F)F)O
InChI
InChI=1S/C8H5F3N2O2/c9-8(10,11)7-12-5-3(14)1-2-4(15)6(5)13-7/h1-2,14-15H,(H,12,13)
InChIKey
DCFYIZVYJUHHPR-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1H-benzimidazole-4,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03032 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03760 139.6
[M+Na]+ 241.01954 151.8
[M-H]- 217.02304 135.2
[M+NH4]+ 236.06414 156.9
[M+K]+ 256.99348 146.6
[M+H-H2O]+ 201.02758 131.8
[M+HCOO]- 263.02852 155.0
[M+CH3COO]- 277.04417 178.8
[M+Na-2H]- 239.00499 145.4
[M]+ 218.02977 135.7
[M]- 218.03087 135.7
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.