CID 18755618

78573-45-2

Structural Information

Molecular Formula
C10H11F3O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CCCO
InChI
InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2
InChIKey
QWXKQVIMGVVIBX-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
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 147.6
[M+Na]+ 227.06542 156.8
[M+NH4]+ 222.11002 153.4
[M+K]+ 243.03936 150.9
[M-H]- 203.06892 144.6
[M+Na-2H]- 225.05087 151.7
[M]+ 204.07565 147.8
[M]- 204.07675 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe