CID 3033265

Usaf t-5

Structural Information

Molecular Formula
C10H13ClN2S2
SMILES
CN(C)NC(=S)SCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H13ClN2S2/c1-13(2)12-10(14)15-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H,12,14)
InChIKey
VVCVUHCENDKOBX-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl N-(dimethylamino)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.02087 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02815 152.8
[M+Na]+ 283.01009 159.7
[M-H]- 259.01359 157.5
[M+NH4]+ 278.05469 171.2
[M+K]+ 298.98403 154.2
[M+H-H2O]+ 243.01813 147.1
[M+HCOO]- 305.01907 162.5
[M+CH3COO]- 319.03472 199.3
[M+Na-2H]- 280.99554 153.1
[M]+ 260.02032 156.3
[M]- 260.02142 156.3
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.