CID 121553647

1,1-dichloro-2-(2-iodoethyl)cyclopropane

Structural Information

Molecular Formula
C5H7Cl2I
SMILES
C1C(C1(Cl)Cl)CCI
InChI
InChI=1S/C5H7Cl2I/c6-5(7)3-4(5)1-2-8/h4H,1-3H2
InChIKey
KQRPXBHTEAPOBJ-UHFFFAOYSA-N
Compound name
1,1-dichloro-2-(2-iodoethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.89694 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.904216 127.3
[M+Na]+ 286.886158 131.7
[M-H]- 262.889664 125.0
[M+NH4]+ 281.930763 142.0
[M+K]+ 302.860098 133.5
[M+H-H2O]+ 246.894200 121.3
[M+HCOO]- 308.895141 137.6
[M+CH3COO]- 322.910791 187.1
[M+Na-2H]- 284.871606 123.4
[M]+ 263.89639142 129.7
[M]- 263.89748858 129.7
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

No patent data available for this compound.