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

328
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

literature stripe

Patent stripe

patents stripe