CID 130063157

4-fluoro-3-formyl-2-hydroxybenzonitrile

Structural Information

Molecular Formula
C8H4FNO2
SMILES
C1=CC(=C(C(=C1C#N)O)C=O)F
InChI
InChI=1S/C8H4FNO2/c9-7-2-1-5(3-10)8(12)6(7)4-11/h1-2,4,12H
InChIKey
XOZGOHSNZRHDCV-UHFFFAOYSA-N
Compound name
4-fluoro-3-formyl-2-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]+ 166.02989 128.9
[M+Na]+ 188.01183 141.0
[M-H]- 164.01533 130.8
[M+NH4]+ 183.05643 147.4
[M+K]+ 203.98577 137.8
[M+H-H2O]+ 148.01987 116.9
[M+HCOO]- 210.02081 148.5
[M+CH3COO]- 224.03646 188.9
[M+Na-2H]- 185.99728 134.2
[M]+ 165.02206 123.7
[M]- 165.02316 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.