CID 53715624

72102-69-3

Structural Information

Molecular Formula
C20H26ClOP
SMILES
CC(C)(C)C1=CC(=C(C=C1)OP(C2=CC=CC=C2)Cl)C(C)(C)C
InChI
InChI=1S/C20H26ClOP/c1-19(2,3)15-12-13-18(17(14-15)20(4,5)6)22-23(21)16-10-8-7-9-11-16/h7-14H,1-6H3
InChIKey
CDOULAJYDKNVEQ-UHFFFAOYSA-N
Compound name
chloro-(2,4-ditert-butylphenoxy)-phenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

348.141 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14828 186.9
[M+Na]+ 371.13022 193.8
[M-H]- 347.13372 192.4
[M+NH4]+ 366.17482 202.1
[M+K]+ 387.10416 188.7
[M+H-H2O]+ 331.13826 178.0
[M+HCOO]- 393.13920 205.8
[M+CH3COO]- 407.15485 215.3
[M+Na-2H]- 369.11567 186.5
[M]+ 348.14045 192.1
[M]- 348.14155 192.1
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