CID 98233

Bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride

Structural Information

Molecular Formula
C8H9ClO
SMILES
C1C2CC(C1C=C2)C(=O)Cl
InChI
InChI=1S/C8H9ClO/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
InChIKey
HXYXVFUUHSZSNV-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

319
Patents

156.0342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04148 134.6
[M+Na]+ 179.02342 143.8
[M-H]- 155.02692 137.7
[M+NH4]+ 174.06802 161.6
[M+K]+ 194.99736 140.3
[M+H-H2O]+ 139.03146 131.4
[M+HCOO]- 201.03240 152.4
[M+CH3COO]- 215.04805 175.2
[M+Na-2H]- 177.00887 137.9
[M]+ 156.03365 135.7
[M]- 156.03475 135.7
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

No patent data available for this compound.