CID 2734675

2-fluoro-4-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H4FNO
SMILES
C1=CC(=C(C=C1O)F)C#N
InChI
InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
InChIKey
REIVHYDACHXPNH-UHFFFAOYSA-N
Compound name
2-fluoro-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1930
Patents

137.0277 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.03498 123.1
[M+Na]+ 160.01692 134.7
[M-H]- 136.02042 124.8
[M+NH4]+ 155.06152 142.5
[M+K]+ 175.99086 131.6
[M+H-H2O]+ 120.02496 111.2
[M+HCOO]- 182.02590 142.6
[M+CH3COO]- 196.04155 184.1
[M+Na-2H]- 158.00237 129.6
[M]+ 137.02715 116.6
[M]- 137.02825 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

literature stripe

Patent stripe

patents stripe