CID 82281035

2-(2,4-difluorophenyl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C10H12F2O
SMILES
CC(C)(CO)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C10H12F2O/c1-10(2,6-13)8-4-3-7(11)5-9(8)12/h3-5,13H,6H2,1-2H3
InChIKey
IZSSJRRIBSNMOR-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.08562 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09290 136.6
[M+Na]+ 209.07484 145.6
[M-H]- 185.07834 136.9
[M+NH4]+ 204.11944 156.4
[M+K]+ 225.04878 142.7
[M+H-H2O]+ 169.08288 130.2
[M+HCOO]- 231.08382 155.9
[M+CH3COO]- 245.09947 181.8
[M+Na-2H]- 207.06029 141.9
[M]+ 186.08507 134.4
[M]- 186.08617 134.4
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.