CID 98325

(2-endo,3-exo)-bicyclo(2.2.1)hept-5-ene-2,3-dicarbonyl dichloride

Structural Information

Molecular Formula
C9H8Cl2O2
SMILES
C1C2C=CC1C(C2C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C9H8Cl2O2/c10-8(12)6-4-1-2-5(3-4)7(6)9(11)13/h1-2,4-7H,3H2
InChIKey
KANQIAARVSWKKG-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

301
Patents

217.99013 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.997406 148.6
[M+Na]+ 240.979348 158.5
[M-H]- 216.982854 151.4
[M+NH4]+ 236.023953 173.4
[M+K]+ 256.953288 153.5
[M+H-H2O]+ 200.987390 146.3
[M+HCOO]- 262.988331 160.4
[M+CH3COO]- 277.003981 185.9
[M+Na-2H]- 238.964796 148.8
[M]+ 217.98958142 151.5
[M]- 217.99067858 151.5
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