CID 5276507

(1-hydroxynonane-1,1-diyl)bis(phosphonic acid)

Structural Information

Molecular Formula
C9H22O7P2
SMILES
CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
InChIKey
COHUUYPEYRMWTH-UHFFFAOYSA-N
Compound name
(1-hydroxy-1-phosphonononyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
Patents

304.08408 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09136 178.8
[M+Na]+ 327.07330 182.4
[M-H]- 303.07680 157.6
[M+NH4]+ 322.11790 156.6
[M+K]+ 343.04724 180.6
[M+H-H2O]+ 287.08134 170.3
[M+HCOO]- 349.08228 176.8
[M+CH3COO]- 363.09793 192.3
[M+Na-2H]- 325.05875 179.9
[M]+ 304.08353 156.9
[M]- 304.08463 156.9
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