CID 3041611

Phosphoramidothioic acid, (4-chlorobutyryl)-, o,s-dimethyl ester

Structural Information

Molecular Formula
C6H13ClNO3PS
SMILES
COP(=O)(NC(=O)CCCCl)SC
InChI
InChI=1S/C6H13ClNO3PS/c1-11-12(10,13-2)8-6(9)4-3-5-7/h3-5H2,1-2H3,(H,8,9,10)
InChIKey
ZYKXRUCOWBVUDD-UHFFFAOYSA-N
Compound name
4-chloro-N-[methoxy(methylsulfanyl)phosphoryl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.00423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01151 151.4
[M+Na]+ 267.99345 158.9
[M+NH4]+ 263.03805 157.6
[M+K]+ 283.96739 153.1
[M-H]- 243.99695 149.0
[M+Na-2H]- 265.97890 152.4
[M]+ 245.00368 152.1
[M]- 245.00478 152.1
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

patents stripe