CID 11618717

Di-tert-butyl[2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane

Structural Information

Molecular Formula
C29H45P
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C
InChI
InChI=1S/C29H45P/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12/h13-21H,1-12H3
InChIKey
SACNIGZYDTUHKB-UHFFFAOYSA-N
Compound name
ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10008
Patents

424.3259 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.33318 212.0
[M+Na]+ 447.31512 215.2
[M-H]- 423.31862 216.8
[M+NH4]+ 442.35972 223.6
[M+K]+ 463.28906 211.4
[M+H-H2O]+ 407.32316 202.4
[M+HCOO]- 469.32410 229.2
[M+CH3COO]- 483.33975 241.1
[M+Na-2H]- 445.30057 203.0
[M]+ 424.32535 215.8
[M]- 424.32645 215.8
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