CID 10511202

4-cyano-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C8H5NO3
SMILES
C1=CC(=C(C=C1C(=O)O)O)C#N
InChI
InChI=1S/C8H5NO3/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-3,10H,(H,11,12)
InChIKey
PAVYLTWYIJWKFM-UHFFFAOYSA-N
Compound name
4-cyano-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

163.02695 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03423 133.9
[M+Na]+ 186.01617 144.5
[M-H]- 162.01967 135.5
[M+NH4]+ 181.06077 151.4
[M+K]+ 201.99011 141.7
[M+H-H2O]+ 146.02421 122.6
[M+HCOO]- 208.02515 152.2
[M+CH3COO]- 222.04080 185.9
[M+Na-2H]- 184.00162 138.5
[M]+ 163.02640 128.3
[M]- 163.02750 128.3
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