CID 96705

31121-37-6

Structural Information

Molecular Formula
C14H13O2PS
SMILES
CC1=CC2=C(C=C1)SC3=C(P2(=O)O)C=C(C=C3)C
InChI
InChI=1S/C14H13O2PS/c1-9-3-5-13-11(7-9)17(15,16)12-8-10(2)4-6-14(12)18-13/h3-8H,1-2H3,(H,15,16)
InChIKey
USFVUQLEAMXHAQ-UHFFFAOYSA-N
Compound name
10-hydroxy-2,8-dimethylbenzo[b][1,4]benzothiaphosphinine 10-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.03738 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04466 156.2
[M+Na]+ 299.02660 171.1
[M+NH4]+ 294.07120 167.8
[M+K]+ 315.00054 159.4
[M-H]- 275.03010 159.9
[M+Na-2H]- 297.01205 163.8
[M]+ 276.03683 160.2
[M]- 276.03793 160.2
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.