CID 66927890

Schembl28649269

Structural Information

Molecular Formula
C20H27O4P
SMILES
CCCCC1=CC=C(C=C1)OP(=O)(O)OC2=CC=C(C=C2)CCCC
InChI
InChI=1S/C20H27O4P/c1-3-5-7-17-9-13-19(14-10-17)23-25(21,22)24-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3,(H,21,22)
InChIKey
SNHWCBGLBBLOQL-UHFFFAOYSA-N
Compound name
bis(4-butylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

362.1647 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17198 191.3
[M+Na]+ 385.15392 196.2
[M-H]- 361.15742 194.7
[M+NH4]+ 380.19852 203.5
[M+K]+ 401.12786 192.4
[M+H-H2O]+ 345.16196 180.5
[M+HCOO]- 407.16290 216.4
[M+CH3COO]- 421.17855 214.5
[M+Na-2H]- 383.13937 191.0
[M]+ 362.16415 196.8
[M]- 362.16525 196.8
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.