CID 37784

Brn 2756511

Structural Information

Molecular Formula
C12H17O4PS2
SMILES
CCOC(=O)C(C1=CC=CC=C1)SP(=O)(OC)SC
InChI
InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(14,15-2)18-3/h5-9,11H,4H2,1-3H3
InChIKey
OBXULSHFYPVXMT-UHFFFAOYSA-N
Compound name
ethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

320.03058 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.03786 166.4
[M+Na]+ 343.01980 174.5
[M+NH4]+ 338.06440 172.7
[M+K]+ 358.99374 167.2
[M-H]- 319.02330 166.0
[M+Na-2H]- 341.00525 169.3
[M]+ 320.03003 168.1
[M]- 320.03113 168.1
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