CID 820096

2-chlorocyclopent-1-ene-1-carboxylic acid

Structural Information

Molecular Formula
C6H7ClO2
SMILES
C1CC(=C(C1)Cl)C(=O)O
InChI
InChI=1S/C6H7ClO2/c7-5-3-1-2-4(5)6(8)9/h1-3H2,(H,8,9)
InChIKey
QEKNDKQAZIYRKU-UHFFFAOYSA-N
Compound name
2-chlorocyclopentene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

146.01346 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02074 126.8
[M+Na]+ 169.00268 135.6
[M-H]- 145.00618 129.3
[M+NH4]+ 164.04728 150.1
[M+K]+ 184.97662 132.7
[M+H-H2O]+ 129.01072 123.2
[M+HCOO]- 191.01166 145.1
[M+CH3COO]- 205.02731 169.1
[M+Na-2H]- 166.98813 130.4
[M]+ 146.01291 126.7
[M]- 146.01401 126.7
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

patents stripe