CID 20554650

3-formyl-2-hydroxybenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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 128.9
[M+Na]+ 170.02125 141.4
[M+NH4]+ 165.06585 133.6
[M+K]+ 185.99519 132.6
[M-H]- 146.02475 123.1
[M+Na-2H]- 168.00670 133.1
[M]+ 147.03148 128.2
[M]- 147.03258 128.2
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