CID 81363

1-chloro-3-iodopropane

Structural Information

Molecular Formula
C3H6ClI
SMILES
C(CCl)CI
InChI
InChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2
InChIKey
SFOYQZYQTQDRIY-UHFFFAOYSA-N
Compound name
1-chloro-3-iodopropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

2174
Patents

203.92027 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.92755 117.5
[M+Na]+ 226.90949 122.7
[M+NH4]+ 221.95409 123.0
[M+K]+ 242.88343 119.3
[M-H]- 202.91299 112.1
[M+Na-2H]- 224.89494 111.4
[M]+ 203.91972 115.9
[M]- 203.92082 115.9
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