CID 386496

Nsc678866

Structural Information

Molecular Formula
C19H15O3PS
SMILES
COC1=CC=C(C=C1)P2(=S)OC3=CC=CC=C3C4=CC=CC=C4O2
InChI
InChI=1S/C19H15O3PS/c1-20-14-10-12-15(13-11-14)23(24)21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)22-23/h2-13H,1H3
InChIKey
ZRAPWVGPFXQJIF-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.04794 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05522 180.7
[M+Na]+ 377.03716 188.7
[M-H]- 353.04066 190.4
[M+NH4]+ 372.08176 194.9
[M+K]+ 393.01110 190.1
[M+H-H2O]+ 337.04520 172.3
[M+HCOO]- 399.04614 200.2
[M+CH3COO]- 413.06179 191.6
[M+Na-2H]- 375.02261 183.9
[M]+ 354.04739 182.7
[M]- 354.04849 182.7
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.