CID 16640782

(4,6-dichloro-1h-1,3-benzodiazol-2-yl)methanol hydrochloride

Structural Information

Molecular Formula
C8H6Cl2N2O
SMILES
C1=C(C=C(C2=C1NC(=N2)CO)Cl)Cl
InChI
InChI=1S/C8H6Cl2N2O/c9-4-1-5(10)8-6(2-4)11-7(3-13)12-8/h1-2,13H,3H2,(H,11,12)
InChIKey
JWBQHCHZXZHMPC-UHFFFAOYSA-N
Compound name
(4,6-dichloro-1H-benzimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.98572 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.992996 139.3
[M+Na]+ 238.974938 152.4
[M-H]- 214.978444 138.8
[M+NH4]+ 234.019543 158.7
[M+K]+ 254.948878 145.4
[M+H-H2O]+ 198.982980 134.3
[M+HCOO]- 260.983921 150.9
[M+CH3COO]- 274.999571 152.3
[M+Na-2H]- 236.960386 145.1
[M]+ 215.98517142 142.4
[M]- 215.98626858 142.4
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.