CID 139308349

2408957-70-8

Structural Information

Molecular Formula
C16H19FN2
SMILES
C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)F)N
InChI
InChI=1S/C16H19FN2/c17-15-8-6-13(7-9-15)10-11-19-12-16(18)14-4-2-1-3-5-14/h1-9,16,19H,10-12,18H2
InChIKey
GTNUUDNNVINUDF-UHFFFAOYSA-N
Compound name
N'-[2-(4-fluorophenyl)ethyl]-1-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

258.15323 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16051 159.8
[M+Na]+ 281.14245 164.6
[M-H]- 257.14595 164.0
[M+NH4]+ 276.18705 175.4
[M+K]+ 297.11639 159.7
[M+H-H2O]+ 241.15049 150.7
[M+HCOO]- 303.15143 182.9
[M+CH3COO]- 317.16708 201.9
[M+Na-2H]- 279.12790 164.0
[M]+ 258.15268 155.9
[M]- 258.15378 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

patents stripe