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]+ 281.01625 155.1
[M+Na]+ 302.99819 164.5
[M-H]- 279.00169 158.5
[M+NH4]+ 298.04279 173.7
[M+K]+ 318.97213 160.9
[M+H-H2O]+ 263.00623 148.0
[M+HCOO]- 325.00717 174.5
[M+CH3COO]- 339.02282 196.7
[M+Na-2H]- 300.98364 155.5
[M]+ 280.00842 164.5
[M]- 280.00952 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.