CID 523058

932-67-2

Structural Information

Molecular Formula
C7H9ClO
SMILES
C1CC(CC=C1)C(=O)Cl
InChI
InChI=1S/C7H9ClO/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2
InChIKey
CXWMHIRIXVNVQN-UHFFFAOYSA-N
Compound name
cyclohex-3-ene-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

287
Patents

144.0342 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.041476 126.5
[M+Na]+ 167.023418 133.5
[M-H]- 143.026924 129.7
[M+NH4]+ 162.068023 148.6
[M+K]+ 182.997358 130.9
[M+H-H2O]+ 127.031460 122.3
[M+HCOO]- 189.032401 143.7
[M+CH3COO]- 203.048051 171.9
[M+Na-2H]- 165.008866 132.2
[M]+ 144.03365142 124.9
[M]- 144.03474858 124.9
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