CID 117917

Diisotridecyl hydrogen phosphate

Structural Information

Molecular Formula
C26H55O4P
SMILES
CC(C)CCCCCCCCCCOP(=O)(O)OCCCCCCCCCCC(C)C
InChI
InChI=1S/C26H55O4P/c1-25(2)21-17-13-9-5-7-11-15-19-23-29-31(27,28)30-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3,(H,27,28)
InChIKey
GMPXNGPHBIHLON-UHFFFAOYSA-N
Compound name
bis(11-methyldodecyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

168
Patents

462.3838 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.39108 222.7
[M+Na]+ 485.37302 227.0
[M-H]- 461.37652 210.7
[M+NH4]+ 480.41762 224.0
[M+K]+ 501.34696 225.4
[M+H-H2O]+ 445.38106 214.6
[M+HCOO]- 507.38200 231.0
[M+CH3COO]- 521.39765 239.9
[M+Na-2H]- 483.35847 207.7
[M]+ 462.38325 221.5
[M]- 462.38435 221.5
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