CID 155978245

2-acetyl-1-chlorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H7ClO3
SMILES
CC(=O)C1CC1(C(=O)O)Cl
InChI
InChI=1S/C6H7ClO3/c1-3(8)4-2-6(4,7)5(9)10/h4H,2H2,1H3,(H,9,10)
InChIKey
ANSHRNBMNXEXNL-UHFFFAOYSA-N
Compound name
2-acetyl-1-chlorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.00838 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01566 126.2
[M+Na]+ 184.99760 137.0
[M-H]- 161.00110 130.2
[M+NH4]+ 180.04220 144.2
[M+K]+ 200.97154 134.2
[M+H-H2O]+ 145.00564 123.7
[M+HCOO]- 207.00658 143.3
[M+CH3COO]- 221.02223 177.0
[M+Na-2H]- 182.98305 131.3
[M]+ 162.00783 131.1
[M]- 162.00893 131.1
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

No patent data available for this compound.