CID 3008032

2-dimethylaminoethyl n-[[3-(trifluoromethyl)phenyl]methyl]carbamodithioate

Structural Information

Molecular Formula
C13H17F3N2S2
SMILES
CN(C)CCSC(=S)NCC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C13H17F3N2S2/c1-18(2)6-7-20-12(19)17-9-10-4-3-5-11(8-10)13(14,15)16/h3-5,8H,6-7,9H2,1-2H3,(H,17,19)
InChIKey
XRRPTYZWFYROIL-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.07852 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08580 166.5
[M+Na]+ 345.06774 171.9
[M-H]- 321.07124 166.2
[M+NH4]+ 340.11234 181.3
[M+K]+ 361.04168 166.4
[M+H-H2O]+ 305.07578 156.3
[M+HCOO]- 367.07672 175.1
[M+CH3COO]- 381.09237 212.1
[M+Na-2H]- 343.05319 165.1
[M]+ 322.07797 165.2
[M]- 322.07907 165.2
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.