CID 33294

Iprobenfos

Structural Information

Molecular Formula
C13H21O3PS
SMILES
CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1
InChI
InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKey
FCOAHACKGGIURQ-UHFFFAOYSA-N
Compound name
di(propan-2-yloxy)phosphorylsulfanylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

30
References

30945
Patents

288.0949 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10218 166.6
[M+Na]+ 311.08412 171.6
[M-H]- 287.08762 168.6
[M+NH4]+ 306.12872 183.2
[M+K]+ 327.05806 170.1
[M+H-H2O]+ 271.09216 157.6
[M+HCOO]- 333.09310 187.4
[M+CH3COO]- 347.10875 201.2
[M+Na-2H]- 309.06957 164.6
[M]+ 288.09435 173.2
[M]- 288.09545 173.2
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.