CID 90010666

[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methanol

Structural Information

Molecular Formula
C11H13F3O
SMILES
CC(C)(C1=CC=C(C=C1)CO)C(F)(F)F
InChI
InChI=1S/C11H13F3O/c1-10(2,11(12,13)14)9-5-3-8(7-15)4-6-9/h3-6,15H,7H2,1-2H3
InChIKey
JSCHONHLDDABSX-UHFFFAOYSA-N
Compound name
[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

218.09184 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.099116 144.7
[M+Na]+ 241.081058 152.9
[M-H]- 217.084564 143.3
[M+NH4]+ 236.125663 162.9
[M+K]+ 257.054998 149.7
[M+H-H2O]+ 201.089100 137.4
[M+HCOO]- 263.090041 160.9
[M+CH3COO]- 277.105691 186.4
[M+Na-2H]- 239.066506 150.3
[M]+ 218.09129142 140.5
[M]- 218.09238858 140.5
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

patents stripe