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

11
Patents

263.89694 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.904216 125.4
[M+Na]+ 286.886158 130.4
[M-H]- 262.889664 123.6
[M+NH4]+ 281.930763 141.9
[M+K]+ 302.860098 133.0
[M+H-H2O]+ 246.894200 120.6
[M+HCOO]- 308.895141 135.5
[M+CH3COO]- 322.910791 186.9
[M+Na-2H]- 284.871606 122.6
[M]+ 263.89639142 128.2
[M]- 263.89748858 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