CID 10149027

17392-16-4

Structural Information

Molecular Formula
C8H6O4
SMILES
C1=CC=C(C(=C1)C(=O)C(=O)O)O
InChI
InChI=1S/C8H6O4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,9H,(H,11,12)
InChIKey
QQSFIAWCKMCGNN-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

165
Patents

166.02661 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03389 129.9
[M+Na]+ 189.01583 137.7
[M-H]- 165.01933 131.4
[M+NH4]+ 184.06043 148.9
[M+K]+ 204.98977 136.2
[M+H-H2O]+ 149.02387 124.9
[M+HCOO]- 211.02481 151.1
[M+CH3COO]- 225.04046 172.5
[M+Na-2H]- 187.00128 134.6
[M]+ 166.02606 129.2
[M]- 166.02716 129.2
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