CID 10943566

2-chloro-3-iodoprop-1-ene

Structural Information

Molecular Formula
C3H4ClI
SMILES
C=C(CI)Cl
InChI
InChI=1S/C3H4ClI/c1-3(4)2-5/h1-2H2
InChIKey
BSQHVKZJTOVHBK-UHFFFAOYSA-N
Compound name
2-chloro-3-iodoprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

78
Patents

201.90463 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.91191 119.9
[M+Na]+ 224.89385 121.9
[M-H]- 200.89735 113.9
[M+NH4]+ 219.93845 139.1
[M+K]+ 240.86779 125.7
[M+H-H2O]+ 184.90189 113.6
[M+HCOO]- 246.90283 134.4
[M+CH3COO]- 260.91848 174.4
[M+Na-2H]- 222.87930 114.7
[M]+ 201.90408 118.1
[M]- 201.90518 118.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe