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

1092
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 158.9
[M+Na]+ 284.12212 165.5
[M-H]- 260.12562 162.7
[M+NH4]+ 279.16672 175.3
[M+K]+ 300.09606 160.6
[M+H-H2O]+ 244.13016 149.4
[M+HCOO]- 306.13110 180.5
[M+CH3COO]- 320.14675 201.4
[M+Na-2H]- 282.10757 162.3
[M]+ 261.13235 155.9
[M]- 261.13345 155.9
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