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
7
Annotation Hits

34
References

4029
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

literature stripe

Patent stripe

patents stripe