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: 76
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	143.8
[M+Na]+	243.05920	152.9
[M-H]-	219.06270	148.2
[M+NH4]+	238.10380	162.2
[M+K]+	259.03314	148.8
[M+H-H2O]+	203.06724	135.0
[M+HCOO]-	265.06818	166.6
[M+CH3COO]-	279.08383	188.8
[M+Na-2H]-	241.04465	149.8
[M]+	220.06943	142.5
[M]-	220.07053	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe