CID 2758130

56447-09-7

Structural Information

Molecular Formula
C5H5Cl3O
SMILES
CC1(CC1(Cl)Cl)C(=O)Cl
InChI
InChI=1S/C5H5Cl3O/c1-4(3(6)9)2-5(4,7)8/h2H2,1H3
InChIKey
AUVFGQDYJGWIJS-UHFFFAOYSA-N
Compound name
2,2-dichloro-1-methylcyclopropane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

185.9406 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.94788 123.8
[M+Na]+ 208.92982 135.2
[M-H]- 184.93332 127.2
[M+NH4]+ 203.97442 143.3
[M+K]+ 224.90376 131.7
[M+H-H2O]+ 168.93786 123.4
[M+HCOO]- 230.93880 132.5
[M+CH3COO]- 244.95445 183.0
[M+Na-2H]- 206.91527 130.3
[M]+ 185.94005 128.8
[M]- 185.94115 128.8
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