CID 3060711

B 680

Structural Information

Molecular Formula
C7H15Cl2N2OPS
SMILES
CC1CNP(=S)(O1)N(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2N2OPS/c1-7-6-10-13(14,12-7)11(4-2-8)5-3-9/h7H,2-6H2,1H3,(H,10,14)
InChIKey
YVPFEYKCTBCNJK-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-5-methyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.00198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00926 152.2
[M+Na]+ 298.99120 159.5
[M-H]- 274.99470 153.5
[M+NH4]+ 294.03580 171.6
[M+K]+ 314.96514 156.2
[M+H-H2O]+ 258.99924 146.2
[M+HCOO]- 321.00018 164.0
[M+CH3COO]- 335.01583 195.2
[M+Na-2H]- 296.97665 150.4
[M]+ 276.00143 155.9
[M]- 276.00253 155.9
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.