CID 2737395

2-fluoro-6-(4-methylphenoxy)benzonitrile

Structural Information

Molecular Formula
C14H10FNO
SMILES
CC1=CC=C(C=C1)OC2=C(C(=CC=C2)F)C#N
InChI
InChI=1S/C14H10FNO/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKey
JLTWAYPSQIKWIL-UHFFFAOYSA-N
Compound name
2-fluoro-6-(4-methylphenoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

227.07465 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08193 149.4
[M+Na]+ 250.06387 161.1
[M-H]- 226.06737 154.2
[M+NH4]+ 245.10847 165.9
[M+K]+ 266.03781 155.5
[M+H-H2O]+ 210.07191 135.4
[M+HCOO]- 272.07285 169.3
[M+CH3COO]- 286.08850 202.5
[M+Na-2H]- 248.04932 154.1
[M]+ 227.07410 144.7
[M]- 227.07520 144.7
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