CID 2736552

175135-35-0

Structural Information

Molecular Formula
C15H11ClFNO
SMILES
C1=CC(=C(C(=C1)Cl)COC2=CC=C(C=C2)CC#N)F
InChI
InChI=1S/C15H11ClFNO/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7H,8,10H2
InChIKey
IMYWPHZDFVUXGJ-UHFFFAOYSA-N
Compound name
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.05133 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05861 159.1
[M+Na]+ 298.04055 171.3
[M-H]- 274.04405 163.5
[M+NH4]+ 293.08515 174.7
[M+K]+ 314.01449 163.6
[M+H-H2O]+ 258.04859 145.5
[M+HCOO]- 320.04953 174.6
[M+CH3COO]- 334.06518 208.5
[M+Na-2H]- 296.02600 162.9
[M]+ 275.05078 156.7
[M]- 275.05188 156.7
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

No patent data available for this compound.