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

No literature data available for this compound.

Patent stripe

patents stripe