CID 211129

22372-03-8

Structural Information

Molecular Formula
C12H18NO3PS
SMILES
CC(C)P(=S)(C(C)C)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H18NO3PS/c1-9(2)17(18,10(3)4)16-12-7-5-11(6-8-12)13(14)15/h5-10H,1-4H3
InChIKey
IEMGGQKXOBYLAA-UHFFFAOYSA-N
Compound name
(4-nitrophenoxy)-di(propan-2-yl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0745 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08178 161.1
[M+Na]+ 310.06372 166.1
[M-H]- 286.06722 163.8
[M+NH4]+ 305.10832 177.1
[M+K]+ 326.03766 160.0
[M+H-H2O]+ 270.07176 157.2
[M+HCOO]- 332.07270 182.9
[M+CH3COO]- 346.08835 196.1
[M+Na-2H]- 308.04917 161.6
[M]+ 287.07395 163.1
[M]- 287.07505 163.1
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.