CID 14122813

1,10-decyldiphosphonic acid

Structural Information

Molecular Formula
C10H24O6P2
SMILES
C(CCCCCP(=O)(O)O)CCCCP(=O)(O)O
InChI
InChI=1S/C10H24O6P2/c11-17(12,13)9-7-5-3-1-2-4-6-8-10-18(14,15)16/h1-10H2,(H2,11,12,13)(H2,14,15,16)
InChIKey
AYQDAYSTSMCOCJ-UHFFFAOYSA-N
Compound name
10-phosphonodecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

302.1048 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11208 180.1
[M+Na]+ 325.09402 183.6
[M-H]- 301.09752 171.6
[M+NH4]+ 320.13862 163.5
[M+K]+ 341.06796 181.1
[M+H-H2O]+ 285.10206 170.8
[M+HCOO]- 347.10300 184.1
[M+CH3COO]- 361.11865 194.8
[M+Na-2H]- 323.07947 179.1
[M]+ 302.10425 184.2
[M]- 302.10535 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe