CID 11660770

656233-53-3

Structural Information

Molecular Formula
C23H19O3P
SMILES
C1CC23CCC4=C2C(=CC=C4)OP(OC5=CC=CC1=C35)OC6=CC=CC=C6
InChI
InChI=1S/C23H19O3P/c1-2-8-18(9-3-1)24-27-25-19-10-4-6-16-12-14-23(21(16)19)15-13-17-7-5-11-20(26-27)22(17)23/h1-11H,12-15H2
InChIKey
JVANYVSBBJFGMW-UHFFFAOYSA-N
Compound name
12-phenoxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

374.10718 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11446 193.7
[M+Na]+ 397.09640 197.8
[M-H]- 373.09990 197.6
[M+NH4]+ 392.14100 201.5
[M+K]+ 413.07034 196.8
[M+H-H2O]+ 357.10444 187.2
[M+HCOO]- 419.10538 201.7
[M+CH3COO]- 433.12103 196.2
[M+Na-2H]- 395.08185 189.1
[M]+ 374.10663 194.1
[M]- 374.10773 194.1
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

patents stripe