CID 57076027

89942-84-7

Structural Information

Molecular Formula
C8H7NO6
SMILES
C1=CC(=C(C=C1C(C(=O)O)O)[N+](=O)[O-])O
InChI
InChI=1S/C8H7NO6/c10-6-2-1-4(7(11)8(12)13)3-5(6)9(14)15/h1-3,7,10-11H,(H,12,13)
InChIKey
VOIZIIUKBKGKRO-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-hydroxy-3-nitrophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

213.02734 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.03462 138.1
[M+Na]+ 236.01656 144.5
[M-H]- 212.02006 138.3
[M+NH4]+ 231.06116 153.6
[M+K]+ 251.99050 139.0
[M+H-H2O]+ 196.02460 137.4
[M+HCOO]- 258.02554 158.7
[M+CH3COO]- 272.04119 172.8
[M+Na-2H]- 234.00201 143.0
[M]+ 213.02679 135.3
[M]- 213.02789 135.3
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