CID 118141005

Tris(5-chloro-2-methoxyphenyl)phosphine

Structural Information

Molecular Formula
C21H18Cl3O3P
SMILES
COC1=C(C=C(C=C1)Cl)P(C2=C(C=CC(=C2)Cl)OC)C3=C(C=CC(=C3)Cl)OC
InChI
InChI=1S/C21H18Cl3O3P/c1-25-16-7-4-13(22)10-19(16)28(20-11-14(23)5-8-17(20)26-2)21-12-15(24)6-9-18(21)27-3/h4-12H,1-3H3
InChIKey
CPBULKRAMBDBGY-UHFFFAOYSA-N
Compound name
tris(5-chloro-2-methoxyphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

454.00592 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.01320 195.8
[M+Na]+ 476.99514 206.2
[M-H]- 452.99864 203.4
[M+NH4]+ 472.03974 207.5
[M+K]+ 492.96908 199.8
[M+H-H2O]+ 437.00318 186.5
[M+HCOO]- 499.00412 208.6
[M+CH3COO]- 513.01977 231.1
[M+Na-2H]- 474.98059 191.7
[M]+ 454.00537 205.9
[M]- 454.00647 205.9
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

patents stripe