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 174.9
[M+Na]+ 368.06922 181.7
[M-H]- 344.07272 180.3
[M+NH4]+ 363.11382 193.3
[M+K]+ 384.04316 183.0
[M+H-H2O]+ 328.07726 167.8
[M+HCOO]- 390.07820 196.8
[M+CH3COO]- 404.09385 213.4
[M+Na-2H]- 366.05467 176.3
[M]+ 345.07945 184.7
[M]- 345.08055 184.7
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.