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 245.6
[M+Na]+ 553.34172 246.7
[M-H]- 529.34522 247.2
[M+NH4]+ 548.38632 251.3
[M+K]+ 569.31566 240.6
[M+H-H2O]+ 513.34976 232.6
[M+HCOO]- 575.35070 266.2
[M+CH3COO]- 589.36635 252.1
[M+Na-2H]- 551.32717 237.7
[M]+ 530.35195 255.9
[M]- 530.35305 255.9
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