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]+ 259.04802 152.9
[M+Na]+ 281.02996 158.3
[M-H]- 257.03346 154.8
[M+NH4]+ 276.07456 168.4
[M+K]+ 297.00390 151.2
[M+H-H2O]+ 241.03800 152.3
[M+HCOO]- 303.03894 172.0
[M+CH3COO]- 317.05459 186.6
[M+Na-2H]- 279.01541 157.8
[M]+ 258.04019 152.7
[M]- 258.04129 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