CID 121552349

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

Structural Information

Molecular Formula
C10H11F3O
SMILES
CC(C1=CC=C(C=C1)CO)C(F)(F)F
InChI
InChI=1S/C10H11F3O/c1-7(10(11,12)13)9-4-2-8(6-14)3-5-9/h2-5,7,14H,6H2,1H3
InChIKey
KLTPDDQSEXJDEL-UHFFFAOYSA-N
Compound name
[4-(1,1,1-trifluoropropan-2-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0762 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08348 140.2
[M+Na]+ 227.06542 148.1
[M-H]- 203.06892 138.8
[M+NH4]+ 222.11002 158.8
[M+K]+ 243.03936 145.2
[M+H-H2O]+ 187.07346 132.6
[M+HCOO]- 249.07440 157.4
[M+CH3COO]- 263.09005 183.7
[M+Na-2H]- 225.05087 144.3
[M]+ 204.07565 135.6
[M]- 204.07675 135.6
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.