CID 15591601

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

Structural Information

Molecular Formula
C5H7Cl2I
SMILES
CC1(CC1(Cl)Cl)CI
InChI
InChI=1S/C5H7Cl2I/c1-4(3-8)2-5(4,6)7/h2-3H2,1H3
InChIKey
VHQHPMCSMTVXCE-UHFFFAOYSA-N
Compound name
1,1-dichloro-2-(iodomethyl)-2-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

263.89694 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.90422 125.4
[M+Na]+ 286.88616 130.4
[M-H]- 262.88966 123.6
[M+NH4]+ 281.93076 141.9
[M+K]+ 302.86010 133.0
[M+H-H2O]+ 246.89420 120.6
[M+HCOO]- 308.89514 135.5
[M+CH3COO]- 322.91079 186.9
[M+Na-2H]- 284.87161 122.6
[M]+ 263.89639 128.2
[M]- 263.89749 128.2
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