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 239.9
[M+Na]+ 573.18382 243.6
[M-H]- 549.18732 253.1
[M+NH4]+ 568.22842 246.6
[M+K]+ 589.15776 232.6
[M+H-H2O]+ 533.19186 228.2
[M+HCOO]- 595.19280 257.8
[M+CH3COO]- 609.20845 260.6
[M+Na-2H]- 571.16927 237.0
[M]+ 550.19405 246.3
[M]- 550.19515 246.3
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.