CID 561269

1-(benzyloxy)-2,4-difluorobenzene

Structural Information

Molecular Formula

C₁₃H₁₀F₂O

SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C13H10F2O/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2

InChIKey

SUJMBSRZMAZPOY-UHFFFAOYSA-N

Compound name

2,4-difluoro-1-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 220.06998 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.07726	148.6
[M+Na]+	243.05920	162.6
[M+NH4]+	238.10380	156.9
[M+K]+	259.03314	154.2
[M-H]-	219.06270	151.0
[M+Na-2H]-	241.04465	157.6
[M]+	220.06943	151.3
[M]-	220.07053	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe