CID 202661

13074-12-9

Structural Information

Molecular Formula
C8H10NO4PS
SMILES
COP(=S)(C)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H10NO4PS/c1-12-14(2,15)13-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
InChIKey
ACIMHNJEURRYLS-UHFFFAOYSA-N
Compound name
methoxy-methyl-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.00682 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.01410 147.0
[M+Na]+ 269.99604 154.0
[M-H]- 245.99954 150.2
[M+NH4]+ 265.04064 164.5
[M+K]+ 285.96998 148.3
[M+H-H2O]+ 230.00408 143.2
[M+HCOO]- 292.00502 172.3
[M+CH3COO]- 306.02067 184.7
[M+Na-2H]- 267.98149 151.7
[M]+ 247.00627 150.0
[M]- 247.00737 150.0
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.