CID 65127846

1490532-16-5

Structural Information

Molecular Formula
C13H19F2NS
SMILES
CCNC(CC1=C(C=C(C=C1)F)F)CSCC
InChI
InChI=1S/C13H19F2NS/c1-3-16-12(9-17-4-2)7-10-5-6-11(14)8-13(10)15/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKey
VGNLBIZJFSJUKD-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12064 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12792 156.0
[M+Na]+ 282.10986 162.5
[M-H]- 258.11336 156.6
[M+NH4]+ 277.15446 173.4
[M+K]+ 298.08380 158.0
[M+H-H2O]+ 242.11790 147.5
[M+HCOO]- 304.11884 171.6
[M+CH3COO]- 318.13449 200.5
[M+Na-2H]- 280.09531 155.4
[M]+ 259.12009 156.6
[M]- 259.12119 156.6
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.