CID 218932

Brn 2743008

Structural Information

Molecular Formula
C12H19ClNO2PS
SMILES
CCOP(=O)(C)SCCN(C)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C12H19ClNO2PS/c1-4-16-17(3,15)18-9-8-14(2)12-7-5-6-11(13)10-12/h5-7,10H,4,8-9H2,1-3H3
InChIKey
SZFMJBOKHLAJLD-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.05627 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06355 167.8
[M+Na]+ 330.04549 178.5
[M+NH4]+ 325.09009 175.5
[M+K]+ 346.01943 170.3
[M-H]- 306.04899 169.5
[M+Na-2H]- 328.03094 172.8
[M]+ 307.05572 170.5
[M]- 307.05682 170.5
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.