CID 131530966

2-fluoro-4-(hydroxymethyl)-6-methoxybenzonitrile

Structural Information

Molecular Formula
C9H8FNO2
SMILES
COC1=C(C(=CC(=C1)CO)F)C#N
InChI
InChI=1S/C9H8FNO2/c1-13-9-3-6(5-12)2-8(10)7(9)4-11/h2-3,12H,5H2,1H3
InChIKey
YDHCKXFPFBKZKF-UHFFFAOYSA-N
Compound name
2-fluoro-4-(hydroxymethyl)-6-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

181.05391 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06119 136.4
[M+Na]+ 204.04313 148.3
[M+NH4]+ 199.08773 140.4
[M+K]+ 220.01707 139.3
[M-H]- 180.04663 129.2
[M+Na-2H]- 202.02858 139.4
[M]+ 181.05336 135.1
[M]- 181.05446 135.1
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