CID 165676095

1-(4-fluoro-3-methoxyphenyl)-2-methylpropan-2-ol

Structural Information

Molecular Formula
C11H15FO2
SMILES
CC(C)(CC1=CC(=C(C=C1)F)OC)O
InChI
InChI=1S/C11H15FO2/c1-11(2,13)7-8-4-5-9(12)10(6-8)14-3/h4-6,13H,7H2,1-3H3
InChIKey
FAERMTPHZQQTON-UHFFFAOYSA-N
Compound name
1-(4-fluoro-3-methoxyphenyl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1056 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11288 141.8
[M+Na]+ 221.09482 150.3
[M-H]- 197.09832 143.3
[M+NH4]+ 216.13942 161.1
[M+K]+ 237.06876 148.1
[M+H-H2O]+ 181.10286 136.0
[M+HCOO]- 243.10380 162.1
[M+CH3COO]- 257.11945 184.1
[M+Na-2H]- 219.08027 147.3
[M]+ 198.10505 142.6
[M]- 198.10615 142.6
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.