CID 3080032

Alpha-(chloromethyl)-6-nitro-1h-benzimidazole-1-ethanol

Structural Information

Molecular Formula
C10H10ClN3O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N(C=N2)CC(CCl)O
InChI
InChI=1S/C10H10ClN3O3/c11-4-8(15)5-13-6-12-9-2-1-7(14(16)17)3-10(9)13/h1-3,6,8,15H,4-5H2
InChIKey
JLYHLWNWECTEBJ-UHFFFAOYSA-N
Compound name
1-chloro-3-(6-nitrobenzimidazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.04106 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04834 151.3
[M+Na]+ 278.03028 160.3
[M-H]- 254.03378 152.4
[M+NH4]+ 273.07488 167.8
[M+K]+ 294.00422 152.1
[M+H-H2O]+ 238.03832 149.4
[M+HCOO]- 300.03926 169.1
[M+CH3COO]- 314.05491 184.4
[M+Na-2H]- 276.01573 158.6
[M]+ 255.04051 153.7
[M]- 255.04161 153.7
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.