CID 4523524

98993-59-0

Structural Information

Molecular Formula
C9H9ClN2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)OCCCl
InChI
InChI=1S/C9H9ClN2O4/c10-4-5-16-9(13)11-7-2-1-3-8(6-7)12(14)15/h1-3,6H,4-5H2,(H,11,13)
InChIKey
GJFUZJAIXRKMEV-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(3-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02509 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03237 149.1
[M+Na]+ 267.01431 155.7
[M-H]- 243.01781 152.6
[M+NH4]+ 262.05891 166.1
[M+K]+ 282.98825 149.2
[M+H-H2O]+ 227.02235 148.3
[M+HCOO]- 289.02329 170.9
[M+CH3COO]- 303.03894 184.8
[M+Na-2H]- 264.99976 156.0
[M]+ 244.02454 150.9
[M]- 244.02564 150.9
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.