CID 3033774

Brn 2418197

Structural Information

Molecular Formula
C9H18Cl4N4S
SMILES
C(CCl)N(CCCl)NC(=S)NN(CCCl)CCCl
InChI
InChI=1S/C9H18Cl4N4S/c10-1-5-16(6-2-11)14-9(18)15-17(7-3-12)8-4-13/h1-8H2,(H2,14,15,18)
InChIKey
OYFYXRQABRCLFY-UHFFFAOYSA-N
Compound name
1,3-bis[bis(2-chloroethyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.00064 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00792 179.5
[M+Na]+ 376.98986 182.5
[M-H]- 352.99336 178.8
[M+NH4]+ 372.03446 193.6
[M+K]+ 392.96380 177.8
[M+H-H2O]+ 336.99790 176.0
[M+HCOO]- 398.99884 180.5
[M+CH3COO]- 413.01449 222.1
[M+Na-2H]- 374.97531 176.7
[M]+ 354.00009 182.9
[M]- 354.00119 182.9
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

No patent data available for this compound.