CID 18424663

Bis(2-fluorophenyl)methanol

Structural Information

Molecular Formula

C₁₃H₁₀F₂O

SMILES

C1=CC=C(C(=C1)C(C2=CC=CC=C2F)O)F

InChI

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

InChIKey

DUWHHGVNDORBNQ-UHFFFAOYSA-N

Compound name

bis(2-fluorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 220.06998 Da
Monoisotopic Mass: 2.9
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	144.3
[M+Na]+	243.05920	152.6
[M-H]-	219.06270	147.4
[M+NH4]+	238.10380	161.9
[M+K]+	259.03314	148.2
[M+H-H2O]+	203.06724	135.9
[M+HCOO]-	265.06818	164.6
[M+CH3COO]-	279.08383	187.0
[M+Na-2H]-	241.04465	148.6
[M]+	220.06943	140.5
[M]-	220.07053	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe