CID 91658

55701-05-8

Structural Information

Molecular Formula
C8H10Cl2O2
SMILES
CC1(C(C1C(=O)O)C=C(Cl)Cl)C
InChI
InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)
InChIKey
LLMLSUSAKZVFOA-UHFFFAOYSA-N
Compound name
3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

34
References

4351
Patents

208.00578 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01306 133.2
[M+Na]+ 230.99500 144.2
[M-H]- 206.99850 136.4
[M+NH4]+ 226.03960 150.2
[M+K]+ 246.96894 139.2
[M+H-H2O]+ 191.00304 131.6
[M+HCOO]- 253.00398 144.7
[M+CH3COO]- 267.01963 185.9
[M+Na-2H]- 228.98045 136.3
[M]+ 208.00523 138.4
[M]- 208.00633 138.4
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.