CID 11772381

(s)-4-chloro-4,5-dihydro-3h-dinaphtho[2,1-c:1',2'-e]phosphepine

Structural Information

Molecular Formula
C22H16ClP
SMILES
C1C2=C(C3=CC=CC=C3C=C2)C4=C(CP1Cl)C=CC5=CC=CC=C54
InChI
InChI=1S/C22H16ClP/c23-24-13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-24)12-10-16-6-2-4-8-20(16)22/h1-12H,13-14H2
InChIKey
YAOAUIMMBYENMS-UHFFFAOYSA-N
Compound name
13-chloro-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

1
References

5
Patents

346.0678 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07508 179.9
[M+Na]+ 369.05702 191.0
[M-H]- 345.06052 187.1
[M+NH4]+ 364.10162 198.1
[M+K]+ 385.03096 185.6
[M+H-H2O]+ 329.06506 172.6
[M+HCOO]- 391.06600 199.0
[M+CH3COO]- 405.08165 191.1
[M+Na-2H]- 367.04247 184.4
[M]+ 346.06725 180.4
[M]- 346.06835 180.4
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