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]+ 216.99300 139.3
[M+Na]+ 238.97494 152.4
[M-H]- 214.97844 138.8
[M+NH4]+ 234.01954 158.7
[M+K]+ 254.94888 145.4
[M+H-H2O]+ 198.98298 134.3
[M+HCOO]- 260.98392 150.9
[M+CH3COO]- 274.99957 152.3
[M+Na-2H]- 236.96039 145.1
[M]+ 215.98517 142.4
[M]- 215.98627 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.