CID 203439

14419-11-5

Structural Information

Molecular Formula
C7H10ClN3O3
SMILES
CC1=NC(=CN1CC(CCl)O)[N+](=O)[O-]
InChI
InChI=1S/C7H10ClN3O3/c1-5-9-7(11(13)14)4-10(5)3-6(12)2-8/h4,6,12H,2-3H2,1H3
InChIKey
JCFLTWHMNZZBFW-UHFFFAOYSA-N
Compound name
1-chloro-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

219.04106 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04834 144.1
[M+Na]+ 242.03028 152.3
[M-H]- 218.03378 144.0
[M+NH4]+ 237.07488 161.1
[M+K]+ 258.00422 145.6
[M+H-H2O]+ 202.03832 142.7
[M+HCOO]- 264.03926 161.6
[M+CH3COO]- 278.05491 178.2
[M+Na-2H]- 240.01573 148.9
[M]+ 219.04051 144.8
[M]- 219.04161 144.8
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

patents stripe