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

8
Patents

197.03242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.039696 135.9
[M+Na]+ 220.021638 143.2
[M-H]- 196.025144 137.5
[M+NH4]+ 215.066243 153.0
[M+K]+ 235.995578 137.5
[M+H-H2O]+ 180.029680 135.2
[M+HCOO]- 242.030621 158.8
[M+CH3COO]- 256.046271 172.3
[M+Na-2H]- 218.007086 142.3
[M]+ 197.03187142 134.3
[M]- 197.03296858 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