CID 3060799

B 534

Structural Information

Molecular Formula
C6H13Cl2N2PS2
SMILES
C1CSP(=S)(N1)N(CCCl)CCCl
InChI
InChI=1S/C6H13Cl2N2PS2/c7-1-4-10(5-2-8)11(12)9-3-6-13-11/h1-6H2,(H,9,12)
InChIKey
KUNCTXMKHGLKKU-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-thiazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.96347 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.97075 144.7
[M+Na]+ 300.95269 151.5
[M-H]- 276.95619 145.2
[M+NH4]+ 295.99729 165.1
[M+K]+ 316.92663 146.4
[M+H-H2O]+ 260.96073 139.0
[M+HCOO]- 322.96167 152.3
[M+CH3COO]- 336.97732 193.9
[M+Na-2H]- 298.93814 141.8
[M]+ 277.96292 146.4
[M]- 277.96402 146.4
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.