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 148.9
[M+Na]+ 278.03028 162.7
[M+NH4]+ 273.07488 156.3
[M+K]+ 294.00422 161.2
[M-H]- 254.03378 150.3
[M+Na-2H]- 276.01573 154.1
[M]+ 255.04051 151.3
[M]- 255.04161 151.3
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.