CID 22612410

104798-53-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

254
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 126.4
[M+Na]+ 160.01692 138.8
[M+NH4]+ 155.06152 131.2
[M+K]+ 175.99086 129.5
[M-H]- 136.02042 119.7
[M+Na-2H]- 158.00237 130.5
[M]+ 137.02715 125.3
[M]- 137.02825 125.3
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