CID 16407

B 832

Structural Information

Molecular Formula
C6H12Cl2NOPS2
SMILES
C1CSP(=O)(S1)N(CCCl)CCCl
InChI
InChI=1S/C6H12Cl2NOPS2/c7-1-3-9(4-2-8)11(10)12-5-6-13-11/h1-6H2
InChIKey
YVCCZLBORRBTJI-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-dithiaphospholan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.9475 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.95478 145.8
[M+Na]+ 301.93672 153.1
[M-H]- 277.94022 149.2
[M+NH4]+ 296.98132 168.2
[M+K]+ 317.91066 149.0
[M+H-H2O]+ 261.94476 140.8
[M+HCOO]- 323.94570 156.3
[M+CH3COO]- 337.96135 195.9
[M+Na-2H]- 299.92217 143.7
[M]+ 278.94695 150.6
[M]- 278.94805 150.6
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.