CID 15783623

2,2-difluoro-1-(4-methoxy-phenyl)-ethanol

Structural Information

Molecular Formula
C9H10F2O2
SMILES
COC1=CC=C(C=C1)C(C(F)F)O
InChI
InChI=1S/C9H10F2O2/c1-13-7-4-2-6(3-5-7)8(12)9(10)11/h2-5,8-9,12H,1H3
InChIKey
ISFCVJGNLBFSOB-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(4-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06488 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07216 136.2
[M+Na]+ 211.05410 143.7
[M-H]- 187.05760 136.0
[M+NH4]+ 206.09870 155.2
[M+K]+ 227.02804 142.0
[M+H-H2O]+ 171.06214 129.0
[M+HCOO]- 233.06308 155.6
[M+CH3COO]- 247.07873 181.0
[M+Na-2H]- 209.03955 139.6
[M]+ 188.06433 133.9
[M]- 188.06543 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.