CID 34334

Brn 1398739

Structural Information

Molecular Formula
C14H20NO5PS
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)P(=S)(OC)OC)C
InChI
InChI=1S/C14H20NO5PS/c1-14(2)9-10-7-6-8-11(12(10)20-14)19-13(16)15(3)21(22,17-4)18-5/h6-8H,9H2,1-5H3
InChIKey
GGQXYZBUENNNRV-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-dimethoxyphosphinothioyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.08 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08728 175.3
[M+Na]+ 368.06922 182.8
[M+NH4]+ 363.11382 182.6
[M+K]+ 384.04316 178.2
[M-H]- 344.07272 176.1
[M+Na-2H]- 366.05467 178.2
[M]+ 345.07945 176.9
[M]- 345.08055 176.9
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.