CID 13326422

Isofenphos-des-n-isopropyl

Structural Information

Molecular Formula
C12H18NO4PS
SMILES
CCOP(=S)(N)OC1=CC=CC=C1C(=O)OC(C)C
InChI
InChI=1S/C12H18NO4PS/c1-4-15-18(13,19)17-11-8-6-5-7-10(11)12(14)16-9(2)3/h5-9H,4H2,1-3H3,(H2,13,19)
InChIKey
PJHFXLMZRIZDJZ-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.06943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07671 167.3
[M+Na]+ 326.05865 172.6
[M-H]- 302.06215 169.0
[M+NH4]+ 321.10325 182.6
[M+K]+ 342.03259 170.9
[M+H-H2O]+ 286.06669 158.1
[M+HCOO]- 348.06763 189.0
[M+CH3COO]- 362.08328 204.3
[M+Na-2H]- 324.04410 165.0
[M]+ 303.06888 172.5
[M]- 303.06998 172.5
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.