CID 122163708

3-(2,2-dichlorocyclopropyl)propanoic acid

Structural Information

Molecular Formula
C6H8Cl2O2
SMILES
C1C(C1(Cl)Cl)CCC(=O)O
InChI
InChI=1S/C6H8Cl2O2/c7-6(8)3-4(6)1-2-5(9)10/h4H,1-3H2,(H,9,10)
InChIKey
AQFCAHAVXIEJEV-UHFFFAOYSA-N
Compound name
3-(2,2-dichlorocyclopropyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.99013 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.99741 127.8
[M+Na]+ 204.97935 138.6
[M-H]- 180.98285 130.9
[M+NH4]+ 200.02395 145.5
[M+K]+ 220.95329 134.3
[M+H-H2O]+ 164.98739 125.8
[M+HCOO]- 226.98833 140.6
[M+CH3COO]- 241.00398 179.8
[M+Na-2H]- 202.96480 133.4
[M]+ 181.98958 133.1
[M]- 181.99068 133.1
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.