CID 9589409

Ethyl p-(methylthio)-m-cresyl phosphorochloridate

Structural Information

Molecular Formula
C10H14ClO3PS
SMILES
CCO[P@](=O)(OC1=CC(=C(C=C1)SC)C)Cl
InChI
InChI=1S/C10H14ClO3PS/c1-4-13-15(11,12)14-9-5-6-10(16-3)8(2)7-9/h5-7H,4H2,1-3H3/t15-/m0/s1
InChIKey
OAOLRDFLDHVCRT-HNNXBMFYSA-N
Compound name
4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.00897 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.016246 155.1
[M+Na]+ 302.998188 164.5
[M-H]- 279.001694 158.5
[M+NH4]+ 298.042793 173.7
[M+K]+ 318.972128 160.9
[M+H-H2O]+ 263.006230 148.0
[M+HCOO]- 325.007171 174.5
[M+CH3COO]- 339.022821 196.7
[M+Na-2H]- 300.983636 155.5
[M]+ 280.00842142 164.5
[M]- 280.00951858 164.5
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.