CID 22497431

Schembl818786

Structural Information

Molecular Formula
C20H27O4P
SMILES
CC(C)(C)C1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2C(C)(C)C
InChI
InChI=1S/C20H27O4P/c1-19(2,3)15-11-7-9-13-17(15)23-25(21,22)24-18-14-10-8-12-16(18)20(4,5)6/h7-14H,1-6H3,(H,21,22)
InChIKey
TWMSGHOMFJVKPA-UHFFFAOYSA-N
Compound name
bis(2-tert-butylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

362.1647 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17198 190.8
[M+Na]+ 385.15392 196.6
[M-H]- 361.15742 195.0
[M+NH4]+ 380.19852 203.4
[M+K]+ 401.12786 194.2
[M+H-H2O]+ 345.16196 181.4
[M+HCOO]- 407.16290 212.7
[M+CH3COO]- 421.17855 214.3
[M+Na-2H]- 383.13937 193.4
[M]+ 362.16415 195.2
[M]- 362.16525 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.