CID 2735992

1-(benzyloxy)-4-fluorobenzene

Structural Information

Molecular Formula
C13H11FO
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)F
InChI
InChI=1S/C13H11FO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
GOJNJAKUQZLPPP-UHFFFAOYSA-N
Compound name
1-fluoro-4-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

202.07939 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08667 141.0
[M+Na]+ 225.06861 149.1
[M-H]- 201.07211 146.5
[M+NH4]+ 220.11321 160.0
[M+K]+ 241.04255 145.6
[M+H-H2O]+ 185.07665 133.1
[M+HCOO]- 247.07759 165.0
[M+CH3COO]- 261.09324 184.9
[M+Na-2H]- 223.05406 148.4
[M]+ 202.07884 140.5
[M]- 202.07994 140.5
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