CID 95984

B 603

Structural Information

Molecular Formula
C7H15Cl2N2OPS
SMILES
C1CNP(=S)(OC1)N(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2N2OPS/c8-2-5-11(6-3-9)13(14)10-4-1-7-12-13/h1-7H2,(H,10,14)
InChIKey
SIWDIHCVUAAVBR-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.00198 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00926 150.0
[M+Na]+ 298.99120 155.5
[M-H]- 274.99470 150.6
[M+NH4]+ 294.03580 167.2
[M+K]+ 314.96514 152.2
[M+H-H2O]+ 258.99924 143.5
[M+HCOO]- 321.00018 159.9
[M+CH3COO]- 335.01583 194.5
[M+Na-2H]- 296.97665 150.2
[M]+ 276.00143 151.4
[M]- 276.00253 151.4
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.