CID 12919291

5-fluoro-2-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H4FNO
SMILES
C1=CC(=C(C=C1F)C#N)O
InChI
InChI=1S/C7H4FNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
InChIKey
MWLKQSIMPLORKX-UHFFFAOYSA-N
Compound name
5-fluoro-2-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

137.0277 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe