CID 19607223

2-fluoro-3-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H4FNO
SMILES
C1=CC(=C(C(=C1)O)F)C#N
InChI
InChI=1S/C7H4FNO/c8-7-5(4-9)2-1-3-6(7)10/h1-3,10H
InChIKey
CVJVSXKZGFQWJK-UHFFFAOYSA-N
Compound name
2-fluoro-3-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

137.0277 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.034976 123.1
[M+Na]+ 160.016918 134.7
[M-H]- 136.020424 124.8
[M+NH4]+ 155.061523 142.5
[M+K]+ 175.990858 131.6
[M+H-H2O]+ 120.024960 111.2
[M+HCOO]- 182.025901 142.6
[M+CH3COO]- 196.041551 184.1
[M+Na-2H]- 158.002366 129.6
[M]+ 137.02715142 116.6
[M]- 137.02824858 116.6
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