CID 43123241

[(3-fluorophenyl)methyl][1-(4-fluorophenyl)propyl]amine hydrochloride

Structural Information

Molecular Formula
C16H17F2N
SMILES
CCC(C1=CC=C(C=C1)F)NCC2=CC(=CC=C2)F
InChI
InChI=1S/C16H17F2N/c1-2-16(13-6-8-14(17)9-7-13)19-11-12-4-3-5-15(18)10-12/h3-10,16,19H,2,11H2,1H3
InChIKey
MQNOJJXECXOJTA-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1329 Da
Monoisotopic Mass

3.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.