CID 118268822

1242258-64-5

Structural Information

Molecular Formula

C₈H₇F₃O₂

SMILES

C1=CC(=C(C(=C1)OC(F)F)F)CO

InChI

InChI=1S/C8H7F3O2/c9-7-5(4-12)2-1-3-6(7)13-8(10)11/h1-3,8,12H,4H2

InChIKey

ZGTXOGNTUUMNGY-UHFFFAOYSA-N

Compound name

[3-(difluoromethoxy)-2-fluorophenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.03981 Da
Monoisotopic Mass: 2.1
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]+	193.04709	133.4
[M+Na]+	215.02903	142.5
[M-H]-	191.03253	132.3
[M+NH4]+	210.07363	152.5
[M+K]+	231.00297	140.1
[M+H-H2O]+	175.03707	125.5
[M+HCOO]-	237.03801	153.0
[M+CH3COO]-	251.05366	181.1
[M+Na-2H]-	213.01448	137.2
[M]+	192.03926	130.5
[M]-	192.04036	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe