CID 3039450

Brn 1994675

Structural Information

Molecular Formula
C10H14NO5PS
SMILES
CC1=CC(=CC(=C1[N+](=O)[O-])C)OP(=S)(OC)OC
InChI
InChI=1S/C10H14NO5PS/c1-7-5-9(16-17(18,14-3)15-4)6-8(2)10(7)11(12)13/h5-6H,1-4H3
InChIKey
SEWMINUMBBPFPX-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.03302 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04030 157.4
[M+Na]+ 314.02224 168.4
[M+NH4]+ 309.06684 163.7
[M+K]+ 329.99618 165.3
[M-H]- 290.02574 158.5
[M+Na-2H]- 312.00769 161.1
[M]+ 291.03247 159.5
[M]- 291.03357 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.