CID 116456

Bis(dipentylphenyl) hydrogen phosphate

Structural Information

Molecular Formula
C32H51O4P
SMILES
CCCCCC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2CCCCC)CCCCC)CCCCC
InChI
InChI=1S/C32H51O4P/c1-5-9-13-19-27-21-17-25-31(29(27)23-15-11-7-3)35-37(33,34)36-32-26-18-22-28(20-14-10-6-2)30(32)24-16-12-8-4/h17-18,21-22,25-26H,5-16,19-20,23-24H2,1-4H3,(H,33,34)
InChIKey
AVDUUCITKNRPLE-UHFFFAOYSA-N
Compound name
bis(2,3-dipentylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

530.3525 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.35978 240.9
[M+Na]+ 553.34172 250.9
[M+NH4]+ 548.38632 244.7
[M+K]+ 569.31566 241.4
[M-H]- 529.34522 242.7
[M+Na-2H]- 551.32717 243.4
[M]+ 530.35195 242.8
[M]- 530.35305 242.8
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

patents stripe