CID 130066597

[3-(difluoromethoxy)-4-methylphenyl]methanol

Structural Information

Molecular Formula
C9H10F2O2
SMILES
CC1=C(C=C(C=C1)CO)OC(F)F
InChI
InChI=1S/C9H10F2O2/c1-6-2-3-7(5-12)4-8(6)13-9(10)11/h2-4,9,12H,5H2,1H3
InChIKey
MANQYWPWKZATFX-UHFFFAOYSA-N
Compound name
[3-(difluoromethoxy)-4-methylphenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.072156 135.4
[M+Na]+ 211.054098 144.0
[M-H]- 187.057604 135.5
[M+NH4]+ 206.098703 154.8
[M+K]+ 227.028038 141.9
[M+H-H2O]+ 171.062140 128.4
[M+HCOO]- 233.063081 155.8
[M+CH3COO]- 247.078731 181.3
[M+Na-2H]- 209.039546 139.3
[M]+ 188.06433142 134.1
[M]- 188.06542858 134.1
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

No patent data available for this compound.