CID 118042438

2-fluoro-4-[3-(hydroxymethyl)phenyl]benzonitrile

Structural Information

Molecular Formula
C14H10FNO
SMILES
C1=CC(=CC(=C1)C2=CC(=C(C=C2)C#N)F)CO
InChI
InChI=1S/C14H10FNO/c15-14-7-12(4-5-13(14)8-16)11-3-1-2-10(6-11)9-17/h1-7,17H,9H2
InChIKey
XBCYVLVMHBZDBJ-UHFFFAOYSA-N
Compound name
2-fluoro-4-[3-(hydroxymethyl)phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

227.07465 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08193 152.3
[M+Na]+ 250.06387 166.4
[M+NH4]+ 245.10847 157.2
[M+K]+ 266.03781 155.2
[M-H]- 226.06737 147.9
[M+Na-2H]- 248.04932 158.0
[M]+ 227.07410 152.3
[M]- 227.07520 152.3
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