CID 532066

2-chloro-n-(3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H7ClN2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCl
InChI
InChI=1S/C8H7ClN2O3/c9-5-8(12)10-6-2-1-3-7(4-6)11(13)14/h1-4H,5H2,(H,10,12)
InChIKey
UCBHRCPNMDOUMV-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

95
Patents

214.01453 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe