CID 337729

Nsc356708

Structural Information

Molecular Formula
C6H7Cl2N3O2
SMILES
CNC(=O)OCN1C=NC(=C1Cl)Cl
InChI
InChI=1S/C6H7Cl2N3O2/c1-9-6(12)13-3-11-2-10-4(7)5(11)8/h2H,3H2,1H3,(H,9,12)
InChIKey
TWJLEILAMWWIBL-UHFFFAOYSA-N
Compound name
(4,5-dichloroimidazol-1-yl)methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.99153 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.99881 142.5
[M+Na]+ 245.98075 153.0
[M-H]- 221.98425 143.4
[M+NH4]+ 241.02535 161.2
[M+K]+ 261.95469 149.3
[M+H-H2O]+ 205.98879 136.6
[M+HCOO]- 267.98973 156.9
[M+CH3COO]- 282.00538 186.1
[M+Na-2H]- 243.96620 146.3
[M]+ 222.99098 146.8
[M]- 222.99208 146.8
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

No patent data available for this compound.