CID 98325

707-80-2

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

2
Annotation Hits: 0
References: 286
Patents: 217.99013 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.99741	140.4
[M+Na]+	240.97935	150.9
[M+NH4]+	236.02395	149.5
[M+K]+	256.95329	148.4
[M-H]-	216.98285	139.9
[M+Na-2H]-	238.96480	142.1
[M]+	217.98958	142.0
[M]-	217.99068	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe