CID 20750656

2-chloro-n-(2-hydroxy-5-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H7ClN2O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCl)O
InChI
InChI=1S/C8H7ClN2O4/c9-4-8(13)10-6-3-5(11(14)15)1-2-7(6)12/h1-3,12H,4H2,(H,10,13)
InChIKey
OCOPCFMOIXUZCA-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-hydroxy-5-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.00943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01671 143.4
[M+Na]+ 252.99865 150.9
[M-H]- 229.00215 146.0
[M+NH4]+ 248.04325 160.5
[M+K]+ 268.97259 143.7
[M+H-H2O]+ 213.00669 143.3
[M+HCOO]- 275.00763 164.1
[M+CH3COO]- 289.02328 180.9
[M+Na-2H]- 250.98410 149.8
[M]+ 230.00888 143.4
[M]- 230.00998 143.4
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