CID 218935

Brn 2134299

Structural Information

Molecular Formula
C12H19ClNO2PS
SMILES
CCOP(=O)(C)SCCN(C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H19ClNO2PS/c1-4-16-17(3,15)18-10-9-14(2)12-7-5-11(13)6-8-12/h5-8H,4,9-10H2,1-3H3
InChIKey
FJTBNYZUCHWAGC-UHFFFAOYSA-N
Compound name
4-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 165.9
[M+Na]+ 330.04549 173.0
[M-H]- 306.04899 169.9
[M+NH4]+ 325.09009 183.5
[M+K]+ 346.01943 169.5
[M+H-H2O]+ 290.05353 157.7
[M+HCOO]- 352.05447 185.8
[M+CH3COO]- 366.07012 207.7
[M+Na-2H]- 328.03094 165.5
[M]+ 307.05572 174.7
[M]- 307.05682 174.7
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.