CID 4527166

2-chlorocyclohex-1-ene-1-carboxylic acid

Structural Information

Molecular Formula
C7H9ClO2
SMILES
C1CCC(=C(C1)C(=O)O)Cl
InChI
InChI=1S/C7H9ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H2,(H,9,10)
InChIKey
ZODRKAXSGHOHFF-UHFFFAOYSA-N
Compound name
2-chlorocyclohexene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

160.02911 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03639 129.3
[M+Na]+ 183.01833 136.8
[M-H]- 159.02183 131.4
[M+NH4]+ 178.06293 150.3
[M+K]+ 198.99227 133.8
[M+H-H2O]+ 143.02637 125.5
[M+HCOO]- 205.02731 145.3
[M+CH3COO]- 219.04296 172.3
[M+Na-2H]- 181.00378 133.8
[M]+ 160.02856 127.6
[M]- 160.02966 127.6
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

patents stripe