CID 101565641

1359986-21-2

Structural Information

Molecular Formula
C33H53OP
SMILES
CC1=C(C(=C(C(=C1C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)P(C(C)(C)C)C(C)(C)C)C)OC)C
InChI
InChI=1S/C33H53OP/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)28-22(7)23(8)30(34-16)24(9)31(28)35(32(10,11)12)33(13,14)15/h17-21H,1-16H3
InChIKey
UKYBHPJGOJGYAC-UHFFFAOYSA-N
Compound name
ditert-butyl-[3-methoxy-2,4,5-trimethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

496.3834 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.39068 226.8
[M+Na]+ 519.37262 231.6
[M-H]- 495.37612 232.3
[M+NH4]+ 514.41722 236.5
[M+K]+ 535.34656 228.5
[M+H-H2O]+ 479.38066 217.5
[M+HCOO]- 541.38160 242.7
[M+CH3COO]- 555.39725 259.5
[M+Na-2H]- 517.35807 214.3
[M]+ 496.38285 235.0
[M]- 496.38395 235.0
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