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

1
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

patents stripe