CID 44233348

Di-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine

Structural Information

Molecular Formula
C31H49O2P
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)OC)C(C)C
InChI
InChI=1S/C31H49O2P/c1-19(2)22-17-23(20(3)4)27(24(18-22)21(5)6)28-25(32-13)15-16-26(33-14)29(28)34(30(7,8)9)31(10,11)12/h15-21H,1-14H3
InChIKey
REWLCYPYZCHYSS-UHFFFAOYSA-N
Compound name
ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2657
Patents

484.34702 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.35430 225.6
[M+Na]+ 507.33624 229.3
[M-H]- 483.33974 230.8
[M+NH4]+ 502.38084 235.1
[M+K]+ 523.31018 227.0
[M+H-H2O]+ 467.34428 215.8
[M+HCOO]- 529.34522 242.5
[M+CH3COO]- 543.36087 253.3
[M+Na-2H]- 505.32169 215.1
[M]+ 484.34647 233.7
[M]- 484.34757 233.7
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