CID 34332

Brn 2008007

Structural Information

Molecular Formula
C13H20NO5PS
SMILES
CC(C)OC1=CC=CC=C1OC(=O)N(C)P(=S)(OC)OC
InChI
InChI=1S/C13H20NO5PS/c1-10(2)18-11-8-6-7-9-12(11)19-13(15)14(3)20(21,16-4)17-5/h6-10H,1-5H3
InChIKey
MLSUSBOUXRLKFF-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-dimethoxyphosphinothioyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.08 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.08728 173.2
[M+Na]+ 356.06922 178.0
[M-H]- 332.07272 176.8
[M+NH4]+ 351.11382 188.2
[M+K]+ 372.04316 178.6
[M+H-H2O]+ 316.07726 163.5
[M+HCOO]- 378.07820 196.0
[M+CH3COO]- 392.09385 212.6
[M+Na-2H]- 354.05467 171.3
[M]+ 333.07945 182.4
[M]- 333.08055 182.4
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.