CID 153779425

N-((4-nitrophenyl)methyl)carbamoyl chloride

Structural Information

Molecular Formula
C8H7ClN2O3
SMILES
C1=CC(=CC=C1CNC(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H7ClN2O3/c9-8(12)10-5-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12)
InChIKey
JLBDXSGOOHGJCL-UHFFFAOYSA-N
Compound name
N-[(4-nitrophenyl)methyl]carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01453 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02181 141.5
[M+Na]+ 237.00375 148.6
[M-H]- 213.00725 145.1
[M+NH4]+ 232.04835 159.7
[M+K]+ 252.97769 141.7
[M+H-H2O]+ 197.01179 141.1
[M+HCOO]- 259.01273 163.4
[M+CH3COO]- 273.02838 180.4
[M+Na-2H]- 234.98920 148.8
[M]+ 214.01398 141.6
[M]- 214.01508 141.6
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