CID 3084689

38135-31-8

Structural Information

Molecular Formula
C20H26ClO3P
SMILES
CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)(C)C)Cl
InChI
InChI=1S/C20H26ClO3P/c1-19(2,3)15-7-11-17(12-8-15)23-25(21,22)24-18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3
InChIKey
PFWJBHJSKGMFNK-UHFFFAOYSA-N
Compound name
1-tert-butyl-4-[(4-tert-butylphenoxy)-chlorophosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

380.1308 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13808 191.3
[M+Na]+ 403.12002 204.3
[M+NH4]+ 398.16462 198.0
[M+K]+ 419.09396 198.0
[M-H]- 379.12352 193.4
[M+Na-2H]- 401.10547 198.6
[M]+ 380.13025 194.3
[M]- 380.13135 194.3
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