CID 3056476

Nsc 221225

Structural Information

Molecular Formula
C28H26Cl2P
SMILES
CC1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)Cl)Cl)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C
InChI
InChI=1S/C28H26Cl2P/c1-20-4-12-25(13-5-20)31(26-14-6-21(2)7-15-26,27-16-8-22(3)9-17-27)19-23-10-11-24(29)18-28(23)30/h4-18H,19H2,1-3H3/q+1
InChIKey
MJSHMSPRBWMWPV-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl-tris(4-methylphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

463.11493 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.12221 219.3
[M+Na]+ 486.10415 227.0
[M-H]- 462.10765 229.4
[M+NH4]+ 481.14875 228.9
[M+K]+ 502.07809 212.2
[M+H-H2O]+ 446.11219 209.2
[M+HCOO]- 508.11313 233.8
[M+CH3COO]- 522.12878 229.3
[M+Na-2H]- 484.08960 217.7
[M]+ 463.11438 222.6
[M]- 463.11548 222.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe