CID 40775

53460-76-7

Structural Information

Molecular Formula
C10H11ClN2O4
SMILES
C1=CC(=CC=C1C(=O)NCC(CCl)O)[N+](=O)[O-]
InChI
InChI=1S/C10H11ClN2O4/c11-5-9(14)6-12-10(15)7-1-3-8(4-2-7)13(16)17/h1-4,9,14H,5-6H2,(H,12,15)
InChIKey
HGNMMEVZKKNYKI-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-hydroxypropyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.04074 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.048016 152.9
[M+Na]+ 281.029958 158.3
[M-H]- 257.033464 154.8
[M+NH4]+ 276.074563 168.4
[M+K]+ 297.003898 151.2
[M+H-H2O]+ 241.038000 152.3
[M+HCOO]- 303.038941 172.0
[M+CH3COO]- 317.054591 186.6
[M+Na-2H]- 279.015406 157.8
[M]+ 258.04019142 152.7
[M]- 258.04128858 152.7
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