CID 203628

14817-93-7

Structural Information

Molecular Formula
C16H18FN
SMILES
CC(CC1=CC=CC=C1)NCC2=CC=C(C=C2)F
InChI
InChI=1S/C16H18FN/c1-13(11-14-5-3-2-4-6-14)18-12-15-7-9-16(17)10-8-15/h2-10,13,18H,11-12H2,1H3
InChIKey
INIRNLIWXWNLKM-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14233 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14961 156.0
[M+Na]+ 266.13155 161.6
[M-H]- 242.13505 160.8
[M+NH4]+ 261.17615 172.8
[M+K]+ 282.10549 157.1
[M+H-H2O]+ 226.13959 147.3
[M+HCOO]- 288.14053 178.6
[M+CH3COO]- 302.15618 197.6
[M+Na-2H]- 264.11700 160.8
[M]+ 243.14178 153.7
[M]- 243.14288 153.7
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.