CID 2737386

175204-09-8

Structural Information

Molecular Formula
C15H12FNO
SMILES
CC1=CC=C(C=C1)COC2=C(C(=CC=C2)F)C#N
InChI
InChI=1S/C15H12FNO/c1-11-5-7-12(8-6-11)10-18-15-4-2-3-14(16)13(15)9-17/h2-8H,10H2,1H3
InChIKey
PYDSAKVFHVQAAD-UHFFFAOYSA-N
Compound name
2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

241.09029 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09757 153.5
[M+Na]+ 264.07951 164.8
[M-H]- 240.08301 158.1
[M+NH4]+ 259.12411 169.4
[M+K]+ 280.05345 158.9
[M+H-H2O]+ 224.08755 139.2
[M+HCOO]- 286.08849 173.1
[M+CH3COO]- 300.10414 205.2
[M+Na-2H]- 262.06496 157.7
[M]+ 241.08974 149.1
[M]- 241.09084 149.1
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