CID 2775273

1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane

Structural Information

Molecular Formula
C6H9Cl3
SMILES
CC1(C(C1(Cl)Cl)CCl)C
InChI
InChI=1S/C6H9Cl3/c1-5(2)4(3-7)6(5,8)9/h4H,3H2,1-2H3
InChIKey
VANFHKYWQQMTOS-UHFFFAOYSA-N
Compound name
1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

185.97699 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98427 125.4
[M+Na]+ 208.96621 137.2
[M-H]- 184.96971 128.7
[M+NH4]+ 204.01081 145.3
[M+K]+ 224.94015 133.3
[M+H-H2O]+ 168.97425 124.7
[M+HCOO]- 230.97519 134.2
[M+CH3COO]- 244.99084 185.2
[M+Na-2H]- 206.95166 131.8
[M]+ 185.97644 130.7
[M]- 185.97754 130.7
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