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 192.4
[M+Na]+ 403.12002 199.9
[M-H]- 379.12352 198.3
[M+NH4]+ 398.16462 206.2
[M+K]+ 419.09396 195.7
[M+H-H2O]+ 363.12806 183.6
[M+HCOO]- 425.12900 211.3
[M+CH3COO]- 439.14465 218.2
[M+Na-2H]- 401.10547 195.0
[M]+ 380.13025 199.7
[M]- 380.13135 199.7
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