CID 3086309

Einecs 290-805-5

Structural Information

Molecular Formula
C12H28O8P2
SMILES
C(CCCCCCOP(=O)(O)O)CCCCCOP(=O)(O)O
InChI
InChI=1S/C12H28O8P2/c13-21(14,15)19-11-9-7-5-3-1-2-4-6-8-10-12-20-22(16,17)18/h1-12H2,(H2,13,14,15)(H2,16,17,18)
InChIKey
MGYRDKQKDZZPJO-UHFFFAOYSA-N
Compound name
12-phosphonooxydodecyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12595 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13323 183.2
[M+Na]+ 385.11517 183.2
[M-H]- 361.11867 177.1
[M+NH4]+ 380.15977 180.0
[M+K]+ 401.08911 174.9
[M+H-H2O]+ 345.12321 164.1
[M+HCOO]- 407.12415 198.4
[M+CH3COO]- 421.13980 205.2
[M+Na-2H]- 383.10062 167.5
[M]+ 362.12540 178.5
[M]- 362.12650 178.5
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

No patent data available for this compound.