CID 82671

21150-89-0

Structural Information

Molecular Formula
C20H27O4P
SMILES
CC(C)(C)C1=CC=C(C=C1)OP(=O)(O)OC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C20H27O4P/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,(H,21,22)
InChIKey
NMZURFAPYNEBQQ-UHFFFAOYSA-N
Compound name
bis(4-tert-butylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

2668
Patents

362.1647 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.171976 190.8
[M+Na]+ 385.153918 196.6
[M-H]- 361.157424 195.0
[M+NH4]+ 380.198523 203.4
[M+K]+ 401.127858 194.2
[M+H-H2O]+ 345.161960 181.4
[M+HCOO]- 407.162901 212.7
[M+CH3COO]- 421.178551 214.3
[M+Na-2H]- 383.139366 193.4
[M]+ 362.16415142 195.2
[M]- 362.16524858 195.2
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