CID 17750663

3,5-difluoro-4-methoxybenzyl alcohol

Structural Information

Molecular Formula

C₈H₈F₂O₂

SMILES

COC1=C(C=C(C=C1F)CO)F

InChI

InChI=1S/C8H8F2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3

InChIKey

VWDDWYZOCQFZHH-UHFFFAOYSA-N

Compound name

(3,5-difluoro-4-methoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 174.04924 Da
Monoisotopic Mass: 1.2
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]+	175.056516	129.8
[M+Na]+	197.038458	140.1
[M-H]-	173.041964	130.4
[M+NH4]+	192.083063	150.1
[M+K]+	213.012398	137.8
[M+H-H2O]+	157.046500	123.2
[M+HCOO]-	219.047441	151.5
[M+CH3COO]-	233.063091	178.6
[M+Na-2H]-	195.023906	134.9
[M]+	174.04869142	129.2
[M]-	174.04978858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe