CID 3856913

2-chloro-n-(2-methoxy-4-nitrophenyl)propanamide

Structural Information

Molecular Formula
C10H11ClN2O4
SMILES
CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)Cl
InChI
InChI=1S/C10H11ClN2O4/c1-6(11)10(14)12-8-4-3-7(13(15)16)5-9(8)17-2/h3-6H,1-2H3,(H,12,14)
InChIKey
SYSSICKCUZXGKF-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methoxy-4-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.04074 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04802 152.8
[M+Na]+ 281.02996 159.6
[M-H]- 257.03346 156.5
[M+NH4]+ 276.07456 169.4
[M+K]+ 297.00390 153.3
[M+H-H2O]+ 241.03800 152.2
[M+HCOO]- 303.03894 173.3
[M+CH3COO]- 317.05459 190.4
[M+Na-2H]- 279.01541 157.4
[M]+ 258.04019 154.8
[M]- 258.04129 154.8
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.