CID 3060727

B 675

Structural Information

Molecular Formula
C8H17Cl2N2OPS
SMILES
CC1CCNP(=S)(O1)N(CCCl)CCCl
InChI
InChI=1S/C8H17Cl2N2OPS/c1-8-2-5-11-14(15,13-8)12(6-3-9)7-4-10/h8H,2-7H2,1H3,(H,11,15)
InChIKey
QKMCKBCXNSNYFN-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-6-methyl-2-sulfanylidene-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.01764 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02492 154.1
[M+Na]+ 313.00686 160.1
[M-H]- 289.01036 154.9
[M+NH4]+ 308.05146 171.1
[M+K]+ 328.98080 156.6
[M+H-H2O]+ 273.01490 147.8
[M+HCOO]- 335.01584 163.7
[M+CH3COO]- 349.03149 198.5
[M+Na-2H]- 310.99231 153.3
[M]+ 290.01709 156.3
[M]- 290.01819 156.3
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.