CID 23383

6953-65-7

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)CO
InChI
InChI=1S/C8H7ClN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-3,12H,4H2,(H,10,11)
InChIKey
NIWRFQPRPJVQLO-UHFFFAOYSA-N
Compound name
(6-chloro-1H-benzimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

80
Patents

182.02469 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03197 133.4
[M+Na]+ 205.01391 145.4
[M-H]- 181.01741 133.4
[M+NH4]+ 200.05851 153.5
[M+K]+ 220.98785 139.6
[M+H-H2O]+ 165.02195 127.8
[M+HCOO]- 227.02289 150.3
[M+CH3COO]- 241.03854 147.0
[M+Na-2H]- 202.99936 140.8
[M]+ 182.02414 135.3
[M]- 182.02524 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe