CID 3056472

2,4-dichlorobenzyl-tris(p-dimethylaminophenyl)phosphonium chloride

Structural Information

Molecular Formula
C31H35Cl2N3P
SMILES
CN(C)C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)Cl)Cl)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C31H35Cl2N3P/c1-34(2)25-9-15-28(16-10-25)37(22-23-7-8-24(32)21-31(23)33,29-17-11-26(12-18-29)35(3)4)30-19-13-27(14-20-30)36(5)6/h7-21H,22H2,1-6H3/q+1
InChIKey
ASVWILQFBMUTGZ-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl-tris[4-(dimethylamino)phenyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.1946 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.20188 240.1
[M+Na]+ 573.18382 258.6
[M+NH4]+ 568.22842 249.7
[M+K]+ 589.15776 247.4
[M-H]- 549.18732 253.1
[M+Na-2H]- 571.16927 252.9
[M]+ 550.19405 247.9
[M]- 550.19515 247.9
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

No patent data available for this compound.