CID 4642096

121898-64-4

Structural Information

Molecular Formula
C27H33O3P
SMILES
CC1=CC(=CC(=C1OC)C)P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=C(C(=C3)C)OC)C
InChI
InChI=1S/C27H33O3P/c1-16-10-22(11-17(2)25(16)28-7)31(23-12-18(3)26(29-8)19(4)13-23)24-14-20(5)27(30-9)21(6)15-24/h10-15H,1-9H3
InChIKey
BDGUINGZRGNLPD-UHFFFAOYSA-N
Compound name
tris(4-methoxy-3,5-dimethylphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

436.21674 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.22402 210.5
[M+Na]+ 459.20596 219.2
[M-H]- 435.20946 220.1
[M+NH4]+ 454.25056 221.7
[M+K]+ 475.17990 215.3
[M+H-H2O]+ 419.21400 198.2
[M+HCOO]- 481.21494 235.8
[M+CH3COO]- 495.23059 241.3
[M+Na-2H]- 457.19141 202.3
[M]+ 436.21619 219.3
[M]- 436.21729 219.3
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