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

48
Patents

163.02695 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.034226 133.9
[M+Na]+ 186.016168 144.5
[M-H]- 162.019674 135.5
[M+NH4]+ 181.060773 151.4
[M+K]+ 201.990108 141.7
[M+H-H2O]+ 146.024210 122.6
[M+HCOO]- 208.025151 152.2
[M+CH3COO]- 222.040801 185.9
[M+Na-2H]- 184.001616 138.5
[M]+ 163.02640142 128.3
[M]- 163.02749858 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