CID 86078002

867257-43-0

Structural Information

Molecular Formula
C7H9ClO2
SMILES
C1CC2C(CC1O2)C(=O)Cl
InChI
InChI=1S/C7H9ClO2/c8-7(9)5-3-4-1-2-6(5)10-4/h4-6H,1-3H2
InChIKey
JJGKKDICTIBBCW-UHFFFAOYSA-N
Compound name
7-oxabicyclo[2.2.1]heptane-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

160.02911 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03639 128.7
[M+Na]+ 183.01833 138.4
[M+NH4]+ 178.06293 138.4
[M+K]+ 198.99227 136.8
[M-H]- 159.02183 129.9
[M+Na-2H]- 181.00378 130.0
[M]+ 160.02856 130.4
[M]- 160.02966 130.4
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

patents stripe