CID 816785

77977-73-2

Structural Information

Molecular Formula
C8H7NO5
SMILES
C1=CC(=CC=C1[C@H](C(=O)O)O)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChIKey
ZSMJZVLXJDNZHG-SSDOTTSWSA-N
Compound name
(2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

136
Patents

197.03242 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.039696 136.1
[M+Na]+ 220.021638 142.3
[M-H]- 196.025144 137.4
[M+NH4]+ 215.066243 152.8
[M+K]+ 235.995578 137.0
[M+H-H2O]+ 180.029680 135.2
[M+HCOO]- 242.030621 158.0
[M+CH3COO]- 256.046271 171.9
[M+Na-2H]- 218.007086 141.9
[M]+ 197.03187142 133.4
[M]- 197.03296858 133.4
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

No patent data available for this compound.