CID 11232617

1191447-90-1

Structural Information

Molecular Formula
C22H17P
SMILES
C1C2=C(C3=CC=CC=C3C=C2)C4=C(CP1)C=CC5=CC=CC=C54
InChI
InChI=1S/C22H17P/c1-3-7-19-15(5-1)9-11-17-13-23-14-18-12-10-16-6-2-4-8-20(16)22(18)21(17)19/h1-12,23H,13-14H2
InChIKey
ZOEOSXZNQTXHDI-UHFFFAOYSA-N
Compound name
13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

312.10678 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11406 174.4
[M+Na]+ 335.09600 182.8
[M-H]- 311.09950 181.6
[M+NH4]+ 330.14060 192.5
[M+K]+ 351.06994 178.6
[M+H-H2O]+ 295.10404 166.9
[M+HCOO]- 357.10498 197.4
[M+CH3COO]- 371.12063 185.3
[M+Na-2H]- 333.08145 179.6
[M]+ 312.10623 172.0
[M]- 312.10733 172.0
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