CID 3635564

3223-77-6

Structural Information

Molecular Formula
C9H9ClN2O4
SMILES
COC1=CC(=C(C=C1)NC(=O)CCl)[N+](=O)[O-]
InChI
InChI=1S/C9H9ClN2O4/c1-16-6-2-3-7(11-9(13)5-10)8(4-6)12(14)15/h2-4H,5H2,1H3,(H,11,13)
InChIKey
VXMOZGZTQMIRJA-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

244.02509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03237 148.6
[M+Na]+ 267.01431 156.0
[M-H]- 243.01781 152.3
[M+NH4]+ 262.05891 165.7
[M+K]+ 282.98825 149.5
[M+H-H2O]+ 227.02235 148.0
[M+HCOO]- 289.02329 170.3
[M+CH3COO]- 303.03894 186.6
[M+Na-2H]- 264.99976 154.8
[M]+ 244.02454 150.8
[M]- 244.02564 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe