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

8
Patents

146.01346 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.020736 126.8
[M+Na]+ 169.002678 135.6
[M-H]- 145.006184 129.3
[M+NH4]+ 164.047283 150.1
[M+K]+ 184.976618 132.7
[M+H-H2O]+ 129.010720 123.2
[M+HCOO]- 191.011661 145.1
[M+CH3COO]- 205.027311 169.1
[M+Na-2H]- 166.988126 130.4
[M]+ 146.01291142 126.7
[M]- 146.01400858 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