CID 36919

34783-40-9

Structural Information

Molecular Formula
C9H12ClO4P
SMILES
COP(=O)(OC)OC1=C(CC2C1C=C2)Cl
InChI
InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-4-3-6(7)5-8(9)10/h3-4,6-7H,5H2,1-2H3
InChIKey
BFESKOTYBVOOQX-UHFFFAOYSA-N
Compound name
(3-chloro-2-bicyclo[3.2.0]hepta-2,6-dienyl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

250.01617 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.023446 144.1
[M+Na]+ 273.005388 153.0
[M-H]- 249.008894 148.2
[M+NH4]+ 268.049993 159.7
[M+K]+ 288.979328 153.7
[M+H-H2O]+ 233.013430 133.9
[M+HCOO]- 295.014371 167.4
[M+CH3COO]- 309.030021 194.8
[M+Na-2H]- 270.990836 147.7
[M]+ 250.01562142 161.5
[M]- 250.01671858 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

No patent data available for this compound.