CID 4868350

2-chloro-n-(2,3-dimethyl-6-nitrophenyl)acetamide

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CCl)C
InChI
InChI=1S/C10H11ClN2O3/c1-6-3-4-8(13(15)16)10(7(6)2)12-9(14)5-11/h3-4H,5H2,1-2H3,(H,12,14)
InChIKey
IPBTWALANVJTNV-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,3-dimethyl-6-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04582 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05310 150.3
[M+Na]+ 265.03504 158.4
[M-H]- 241.03854 154.2
[M+NH4]+ 260.07964 168.0
[M+K]+ 281.00898 151.1
[M+H-H2O]+ 225.04308 150.0
[M+HCOO]- 287.04402 171.5
[M+CH3COO]- 301.05967 188.7
[M+Na-2H]- 263.02049 155.2
[M]+ 242.04527 151.9
[M]- 242.04637 151.9
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.