CID 198033

Benzimidazol-5-ol, 4,6-dichloro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8H3Cl2F3N2O
SMILES
C1=C2C(=C(C(=C1Cl)O)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8H3Cl2F3N2O/c9-2-1-3-5(4(10)6(2)16)15-7(14-3)8(11,12)13/h1,16H,(H,14,15)
InChIKey
NMRBMVUOERUOFI-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(trifluoromethyl)-1H-benzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.95746 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96474 146.0
[M+Na]+ 292.94668 160.5
[M-H]- 268.95018 142.3
[M+NH4]+ 287.99128 163.5
[M+K]+ 308.92062 152.7
[M+H-H2O]+ 252.95472 139.1
[M+HCOO]- 314.95566 153.0
[M+CH3COO]- 328.97131 188.8
[M+Na-2H]- 290.93213 150.3
[M]+ 269.95691 145.9
[M]- 269.95801 145.9
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.