CID 3060431

B 806

Structural Information

Molecular Formula
C6H14Cl2N3PS
SMILES
C1CNP(=S)(N1)N(CCCl)CCCl
InChI
InChI=1S/C6H14Cl2N3PS/c7-1-5-11(6-2-8)12(13)9-3-4-10-12/h1-6H2,(H2,9,10,13)
InChIKey
TUCZYXPQJGHCFY-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-diazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.00232 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00960 146.5
[M+Na]+ 283.99154 153.0
[M-H]- 259.99504 144.2
[M+NH4]+ 279.03614 165.4
[M+K]+ 299.96548 147.9
[M+H-H2O]+ 243.99958 139.6
[M+HCOO]- 306.00052 156.6
[M+CH3COO]- 320.01617 189.4
[M+Na-2H]- 281.97699 144.5
[M]+ 261.00177 146.1
[M]- 261.00287 146.1
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.