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

12
Patents

160.02911 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.036386 129.3
[M+Na]+ 183.018328 136.8
[M-H]- 159.021834 131.4
[M+NH4]+ 178.062933 150.3
[M+K]+ 198.992268 133.8
[M+H-H2O]+ 143.026370 125.5
[M+HCOO]- 205.027311 145.3
[M+CH3COO]- 219.042961 172.3
[M+Na-2H]- 181.003776 133.8
[M]+ 160.02856142 127.6
[M]- 160.02965858 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