CID 118268822

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.047086 133.4
[M+Na]+ 215.029028 142.5
[M-H]- 191.032534 132.3
[M+NH4]+ 210.073633 152.5
[M+K]+ 231.002968 140.1
[M+H-H2O]+ 175.037070 125.5
[M+HCOO]- 237.038011 153.0
[M+CH3COO]- 251.053661 181.1
[M+Na-2H]- 213.014476 137.2
[M]+ 192.03926142 130.5
[M]- 192.04035858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe