CID 4089912

2-bromoacetamido-4-nitrophenol

Structural Information

Molecular Formula
C8H7BrN2O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CBr)O
InChI
InChI=1S/C8H7BrN2O4/c9-4-8(13)10-6-3-5(11(14)15)1-2-7(6)12/h1-3,12H,4H2,(H,10,13)
InChIKey
STWBNOBMOCQPLR-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

955
Patents

273.95892 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.96620 148.2
[M+Na]+ 296.94814 157.8
[M-H]- 272.95164 153.3
[M+NH4]+ 291.99274 166.1
[M+K]+ 312.92208 142.9
[M+H-H2O]+ 256.95618 151.1
[M+HCOO]- 318.95712 170.4
[M+CH3COO]- 332.97277 187.3
[M+Na-2H]- 294.93359 155.7
[M]+ 273.95837 165.0
[M]- 273.95947 165.0
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