CID 94551

52314-67-7

Structural Information

Molecular Formula
C8H9Cl3O
SMILES
CC1(C(C1C(=O)Cl)C=C(Cl)Cl)C
InChI
InChI=1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
InChIKey
CHLAOFANYRDCPD-UHFFFAOYSA-N
Compound name
3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

375
Patents

225.9719 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97918 134.9
[M+Na]+ 248.96112 145.7
[M-H]- 224.96462 138.0
[M+NH4]+ 244.00572 151.6
[M+K]+ 264.93506 140.4
[M+H-H2O]+ 208.96916 133.4
[M+HCOO]- 270.97010 142.3
[M+CH3COO]- 284.98575 191.7
[M+Na-2H]- 246.94657 137.3
[M]+ 225.97135 139.9
[M]- 225.97245 139.9
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