CID 156421

Delucemine

Structural Information

Molecular Formula
C16H17F2N
SMILES
CNCCC(C1=CC(=CC=C1)F)C2=CC(=CC=C2)F
InChI
InChI=1S/C16H17F2N/c1-19-9-8-16(12-4-2-6-14(17)10-12)13-5-3-7-15(18)11-13/h2-7,10-11,16,19H,8-9H2,1H3
InChIKey
MUGNLPWYHGOJEG-UHFFFAOYSA-N
Compound name
3,3-bis(3-fluorophenyl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1090
Patents

261.1329 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14018 161.7
[M+Na]+ 284.12212 174.0
[M+NH4]+ 279.16672 169.4
[M+K]+ 300.09606 165.6
[M-H]- 260.12562 164.5
[M+Na-2H]- 282.10757 169.7
[M]+ 261.13235 164.2
[M]- 261.13345 164.2
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

patents stripe