CID 11789350

3-formyl-4-hydroxybenzonitrile

Structural Information

Molecular Formula
C8H5NO2
SMILES
C1=CC(=C(C=C1C#N)C=O)O
InChI
InChI=1S/C8H5NO2/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,11H
InChIKey
PHIANFGZFLCRDV-UHFFFAOYSA-N
Compound name
3-formyl-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

147.03203 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.03931 128.7
[M+Na]+ 170.02125 140.2
[M-H]- 146.02475 131.6
[M+NH4]+ 165.06585 147.7
[M+K]+ 185.99519 137.1
[M+H-H2O]+ 130.02929 117.4
[M+HCOO]- 192.03023 149.2
[M+CH3COO]- 206.04588 185.5
[M+Na-2H]- 168.00670 135.1
[M]+ 147.03148 124.2
[M]- 147.03258 124.2
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