CID 18755618

3-(trifluoromethyl)benzenepropanol

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
2
Annotation Hits

0
References

202
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 140.4
[M+Na]+ 227.06542 148.5
[M-H]- 203.06892 138.8
[M+NH4]+ 222.11002 159.0
[M+K]+ 243.03936 145.1
[M+H-H2O]+ 187.07346 132.7
[M+HCOO]- 249.07440 158.6
[M+CH3COO]- 263.09005 182.8
[M+Na-2H]- 225.05087 145.7
[M]+ 204.07565 136.4
[M]- 204.07675 136.4
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