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

371
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 139.4
[M+Na]+ 248.96112 153.1
[M+NH4]+ 244.00572 149.4
[M+K]+ 264.93506 146.6
[M-H]- 224.96462 146.0
[M+Na-2H]- 246.94657 147.6
[M]+ 225.97135 145.1
[M]- 225.97245 145.1
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

patents stripe