CID 3036097

Dcphhp

Structural Information

Molecular Formula
C12H17Cl2O5P
SMILES
C1=CC(=C(C=C1Cl)Cl)CC[C@H](C[C@H](CP(=O)(O)O)O)O
InChI
InChI=1S/C12H17Cl2O5P/c13-9-3-1-8(12(14)5-9)2-4-10(15)6-11(16)7-20(17,18)19/h1,3,5,10-11,15-16H,2,4,6-7H2,(H2,17,18,19)/t10-,11-/m1/s1
InChIKey
GGAVPGOIUVCRHG-GHMZBOCLSA-N
Compound name
[(2R,4R)-6-(2,4-dichlorophenyl)-2,4-dihydroxyhexyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

342.01907 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.02635 169.0
[M+Na]+ 365.00829 175.8
[M-H]- 341.01179 166.3
[M+NH4]+ 360.05289 182.1
[M+K]+ 380.98223 170.2
[M+H-H2O]+ 325.01633 164.1
[M+HCOO]- 387.01727 180.3
[M+CH3COO]- 401.03292 199.7
[M+Na-2H]- 362.99374 167.1
[M]+ 342.01852 172.8
[M]- 342.01962 172.8
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

No patent data available for this compound.