CID 338453

1,1-dichloro-2-(chloromethyl)-2-methylcyclopropane

Structural Information

Molecular Formula
C5H7Cl3
SMILES
CC1(CC1(Cl)Cl)CCl
InChI
InChI=1S/C5H7Cl3/c1-4(3-6)2-5(4,7)8/h2-3H2,1H3
InChIKey
FOWRHXQSCVDBKQ-UHFFFAOYSA-N
Compound name
1,1-dichloro-2-(chloromethyl)-2-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

171.96133 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.96861 122.6
[M+Na]+ 194.95055 133.9
[M-H]- 170.95405 125.8
[M+NH4]+ 189.99515 142.7
[M+K]+ 210.92449 130.4
[M+H-H2O]+ 154.95859 121.7
[M+HCOO]- 216.95953 131.7
[M+CH3COO]- 230.97518 181.4
[M+Na-2H]- 192.93600 130.0
[M]+ 171.96078 127.2
[M]- 171.96188 127.2
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