CID 117281021

2-(2,4-difluoro-3-methoxyphenyl)ethan-1-ol

Structural Information

Molecular Formula
C9H10F2O2
SMILES
COC1=C(C=CC(=C1F)CCO)F
InChI
InChI=1S/C9H10F2O2/c1-13-9-7(10)3-2-6(4-5-12)8(9)11/h2-3,12H,4-5H2,1H3
InChIKey
DHVJIQYKYZRHFP-UHFFFAOYSA-N
Compound name
2-(2,4-difluoro-3-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06488 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07216 134.6
[M+Na]+ 211.05410 144.4
[M-H]- 187.05760 135.0
[M+NH4]+ 206.09870 154.3
[M+K]+ 227.02804 141.8
[M+H-H2O]+ 171.06214 127.7
[M+HCOO]- 233.06308 156.0
[M+CH3COO]- 247.07873 181.6
[M+Na-2H]- 209.03955 139.1
[M]+ 188.06433 134.3
[M]- 188.06543 134.3
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.