CID 76968699

Hostavik

Structural Information

Molecular Formula
C9H12ClO4P
SMILES
COP(=O)(OC)OC1=C([C@H]2[C@@H]1CC=C2)Cl
InChI
InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3/t6-,7+/m1/s1
InChIKey
GBAWQJNHVWMTLU-RQJHMYQMSA-N
Compound name
[(1R,5S)-7-chloro-6-bicyclo[3.2.0]hepta-2,6-dienyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

18
References

22986
Patents

250.01617 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02345 144.1
[M+Na]+ 273.00539 153.0
[M-H]- 249.00889 148.2
[M+NH4]+ 268.04999 159.7
[M+K]+ 288.97933 153.7
[M+H-H2O]+ 233.01343 133.9
[M+HCOO]- 295.01437 167.4
[M+CH3COO]- 309.03002 194.8
[M+Na-2H]- 270.99084 147.7
[M]+ 250.01562 161.5
[M]- 250.01672 161.5
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