CID 41870

Flumecinol

Structural Information

Molecular Formula
C16H15F3O
SMILES
CCC(C1=CC=CC=C1)(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C16H15F3O/c1-2-15(20,12-7-4-3-5-8-12)13-9-6-10-14(11-13)16(17,18)19/h3-11,20H,2H2,1H3
InChIKey
DVASNQYQOZHAJN-UHFFFAOYSA-N
Compound name
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

70
References

378
Patents

280.1075 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11478 161.7
[M+Na]+ 303.09672 169.1
[M-H]- 279.10022 163.1
[M+NH4]+ 298.14132 176.8
[M+K]+ 319.07066 163.9
[M+H-H2O]+ 263.10476 152.5
[M+HCOO]- 325.10570 177.6
[M+CH3COO]- 339.12135 197.0
[M+Na-2H]- 301.08217 167.1
[M]+ 280.10695 156.9
[M]- 280.10805 156.9
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