CID 169408031

N-acetoxy-n-chloro-4-nitrobenzamide

Structural Information

Molecular Formula
C9H7ClN2O5
SMILES
CC(=O)ON(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H7ClN2O5/c1-6(13)17-11(10)9(14)7-2-4-8(5-3-7)12(15)16/h2-5H,1H3
InChIKey
VYVBRRZEOYZZHX-UHFFFAOYSA-N
Compound name
[chloro-(4-nitrobenzoyl)amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.00436 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01164 149.7
[M+Na]+ 280.99358 156.5
[M-H]- 256.99708 154.8
[M+NH4]+ 276.03818 166.6
[M+K]+ 296.96752 151.8
[M+H-H2O]+ 241.00162 148.8
[M+HCOO]- 303.00256 171.5
[M+CH3COO]- 317.01821 189.5
[M+Na-2H]- 278.97903 155.0
[M]+ 258.00381 152.8
[M]- 258.00491 152.8
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.