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

6
Patents

219.04106 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.048336 144.1
[M+Na]+ 242.030278 152.3
[M-H]- 218.033784 144.0
[M+NH4]+ 237.074883 161.1
[M+K]+ 258.004218 145.6
[M+H-H2O]+ 202.038320 142.7
[M+HCOO]- 264.039261 161.6
[M+CH3COO]- 278.054911 178.2
[M+Na-2H]- 240.015726 148.9
[M]+ 219.04051142 144.8
[M]- 219.04160858 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