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 150.9
[M+Na]+ 250.06387 162.2
[M-H]- 226.06737 154.4
[M+NH4]+ 245.10847 166.7
[M+K]+ 266.03781 155.8
[M+H-H2O]+ 210.07191 137.1
[M+HCOO]- 272.07285 169.4
[M+CH3COO]- 286.08850 200.2
[M+Na-2H]- 248.04932 155.1
[M]+ 227.07410 144.5
[M]- 227.07520 144.5
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