CID 11953610

Di-tert-butyl[3,4,5,6-tetramethyl-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane

Structural Information

Molecular Formula
C33H53P
SMILES
CC1=C(C(=C(C(=C1C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)P(C(C)(C)C)C(C)(C)C)C)C
InChI
InChI=1S/C33H53P/c1-19(2)26-17-27(20(3)4)30(28(18-26)21(5)6)29-24(9)22(7)23(8)25(10)31(29)34(32(11,12)13)33(14,15)16/h17-21H,1-16H3
InChIKey
RCRYEYMHBHPZQD-UHFFFAOYSA-N
Compound name
ditert-butyl-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2238
Patents

480.3885 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.39578 222.5
[M+Na]+ 503.37772 227.5
[M-H]- 479.38122 228.0
[M+NH4]+ 498.42232 233.0
[M+K]+ 519.35166 223.6
[M+H-H2O]+ 463.38576 213.5
[M+HCOO]- 525.38670 238.3
[M+CH3COO]- 539.40235 257.5
[M+Na-2H]- 501.36317 209.8
[M]+ 480.38795 229.3
[M]- 480.38905 229.3
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