CID 84118

13955-12-9

Structural Information

Molecular Formula
C10H14NO5PS
SMILES
CC(C)OP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO5PS/c1-8(2)15-17(18,14-3)16-10-6-4-9(5-7-10)11(12)13/h4-8H,1-3H3
InChIKey
IDTURXUOVKNCOM-UHFFFAOYSA-N
Compound name
methoxy-(4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.03302 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04030 156.2
[M+Na]+ 314.02224 166.2
[M+NH4]+ 309.06684 162.4
[M+K]+ 329.99618 163.6
[M-H]- 290.02574 157.0
[M+Na-2H]- 312.00769 160.1
[M]+ 291.03247 158.0
[M]- 291.03357 158.0
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.