CID 130063141

2-fluoro-4-formyl-3-hydroxybenzonitrile

Structural Information

Molecular Formula
C8H4FNO2
SMILES
C1=CC(=C(C(=C1C=O)O)F)C#N
InChI
InChI=1S/C8H4FNO2/c9-7-5(3-10)1-2-6(4-11)8(7)12/h1-2,4,12H
InChIKey
PJMLNEUECJKNKB-UHFFFAOYSA-N
Compound name
2-fluoro-4-formyl-3-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.02261 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.029886 128.9
[M+Na]+ 188.011828 141.0
[M-H]- 164.015334 130.8
[M+NH4]+ 183.056433 147.4
[M+K]+ 203.985768 137.8
[M+H-H2O]+ 148.019870 116.9
[M+HCOO]- 210.020811 148.5
[M+CH3COO]- 224.036461 188.9
[M+Na-2H]- 185.997276 134.2
[M]+ 165.02206142 123.7
[M]- 165.02315858 123.7
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

No patent data available for this compound.