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]+ 264.90422 127.3
[M+Na]+ 286.88616 131.7
[M-H]- 262.88966 125.0
[M+NH4]+ 281.93076 142.0
[M+K]+ 302.86010 133.5
[M+H-H2O]+ 246.89420 121.3
[M+HCOO]- 308.89514 137.6
[M+CH3COO]- 322.91079 187.1
[M+Na-2H]- 284.87161 123.4
[M]+ 263.89639 129.7
[M]- 263.89749 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.