CID 145892160

2419675-73-1

Structural Information

Molecular Formula
C15H18F5NO
SMILES
CN(CC1=CC(=CC(=C1)O)C(F)(F)F)C2CCC(CC2)(F)F
InChI
InChI=1S/C15H18F5NO/c1-21(12-2-4-14(16,17)5-3-12)9-10-6-11(15(18,19)20)8-13(22)7-10/h6-8,12,22H,2-5,9H2,1H3
InChIKey
SASXTKIYKNJIRS-UHFFFAOYSA-N
Compound name
3-[[(4,4-difluorocyclohexyl)-methylamino]methyl]-5-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.13086 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13814 170.8
[M+Na]+ 346.12008 177.4
[M-H]- 322.12358 170.6
[M+NH4]+ 341.16468 186.6
[M+K]+ 362.09402 173.4
[M+H-H2O]+ 306.12812 160.0
[M+HCOO]- 368.12906 183.7
[M+CH3COO]- 382.14471 210.3
[M+Na-2H]- 344.10553 171.1
[M]+ 323.13031 161.0
[M]- 323.13141 161.0
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.