CID 108583

Mitemate

Structural Information

Molecular Formula
C10H15ClNO2PS2
SMILES
CCNP(=S)(OC)OC1=C(C=C(C=C1)SC)Cl
InChI
InChI=1S/C10H15ClNO2PS2/c1-4-12-15(16,13-2)14-10-6-5-8(17-3)7-9(10)11/h5-7H,4H2,1-3H3,(H,12,16)
InChIKey
KHHCRIPDPIOVAF-UHFFFAOYSA-N
Compound name
N-[(2-chloro-4-methylsulfanylphenoxy)-methoxyphosphinothioyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

310.99704 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.00432 158.9
[M+Na]+ 333.98626 166.8
[M-H]- 309.98976 161.6
[M+NH4]+ 329.03086 175.8
[M+K]+ 349.96020 161.1
[M+H-H2O]+ 293.99430 151.2
[M+HCOO]- 355.99524 173.4
[M+CH3COO]- 370.01089 203.9
[M+Na-2H]- 331.97171 158.0
[M]+ 310.99649 166.0
[M]- 310.99759 166.0
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