CID 3060703

B 668

Structural Information

Molecular Formula
C8H17Cl2N2OPS
SMILES
C1CCOP(=S)(NC1)N(CCCl)CCCl
InChI
InChI=1S/C8H17Cl2N2OPS/c9-3-6-12(7-4-10)14(15)11-5-1-2-8-13-14/h1-8H2,(H,11,15)
InChIKey
GRICMEZZEYWLBF-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-oxazaphosphepan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.01764 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02492 151.9
[M+Na]+ 313.00686 156.0
[M-H]- 289.01036 153.0
[M+NH4]+ 308.05146 167.3
[M+K]+ 328.98080 157.0
[M+H-H2O]+ 273.01490 143.2
[M+HCOO]- 335.01584 161.2
[M+CH3COO]- 349.03149 198.3
[M+Na-2H]- 310.99231 151.4
[M]+ 290.01709 149.9
[M]- 290.01819 149.9
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.