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]+ 243.053096 150.3
[M+Na]+ 265.035038 158.4
[M-H]- 241.038544 154.2
[M+NH4]+ 260.079643 168.0
[M+K]+ 281.008978 151.1
[M+H-H2O]+ 225.043080 150.0
[M+HCOO]- 287.044021 171.5
[M+CH3COO]- 301.059671 188.7
[M+Na-2H]- 263.020486 155.2
[M]+ 242.04527142 151.9
[M]- 242.04636858 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.