CID 19767381

2-(5-hydroxy-2-nitrophenyl)acetic acid

Structural Information

Molecular Formula
C8H7NO5
SMILES
C1=CC(=C(C=C1O)CC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO5/c10-6-1-2-7(9(13)14)5(3-6)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKey
DQZPMHKOFNDCHT-UHFFFAOYSA-N
Compound name
2-(5-hydroxy-2-nitrophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

197.03242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03970 135.9
[M+Na]+ 220.02164 143.2
[M-H]- 196.02514 137.5
[M+NH4]+ 215.06624 153.0
[M+K]+ 235.99558 137.5
[M+H-H2O]+ 180.02968 135.2
[M+HCOO]- 242.03062 158.8
[M+CH3COO]- 256.04627 172.3
[M+Na-2H]- 218.00709 142.3
[M]+ 197.03187 134.3
[M]- 197.03297 134.3
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