CID 165212

4321-64-6

Structural Information

Molecular Formula
C8H10NO5PS
SMILES
CC1=C(C=CC(=C1)OP(=S)(O)OC)[N+](=O)[O-]
InChI
InChI=1S/C8H10NO5PS/c1-6-5-7(14-15(12,16)13-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,12,16)
InChIKey
LNGYYGXBMGRUKZ-UHFFFAOYSA-N
Compound name
hydroxy-methoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

3
Patents

263.00174 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00902 149.1
[M+Na]+ 285.99096 156.2
[M-H]- 261.99446 151.2
[M+NH4]+ 281.03556 165.4
[M+K]+ 301.96490 150.1
[M+H-H2O]+ 245.99900 145.6
[M+HCOO]- 307.99994 173.0
[M+CH3COO]- 322.01559 185.2
[M+Na-2H]- 283.97641 153.4
[M]+ 263.00119 151.9
[M]- 263.00229 151.9
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.