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

60
Patents

362.1647 Da
Monoisotopic Mass

6.0
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

No literature data available for this compound.

Patent stripe

patents stripe