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

6
Patents

218.09184 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09912 144.7
[M+Na]+ 241.08106 152.9
[M-H]- 217.08456 143.3
[M+NH4]+ 236.12566 162.9
[M+K]+ 257.05500 149.7
[M+H-H2O]+ 201.08910 137.4
[M+HCOO]- 263.09004 160.9
[M+CH3COO]- 277.10569 186.4
[M+Na-2H]- 239.06651 150.3
[M]+ 218.09129 140.5
[M]- 218.09239 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