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
3
Annotation Hits

7
References

2561
Patents

203.92027 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.927546 122.1
[M+Na]+ 226.909488 124.0
[M-H]- 202.912994 115.9
[M+NH4]+ 221.954093 141.4
[M+K]+ 242.883428 128.0
[M+H-H2O]+ 186.917530 115.6
[M+HCOO]- 248.918471 137.2
[M+CH3COO]- 262.934121 174.6
[M+Na-2H]- 224.894936 117.9
[M]+ 203.91972142 121.5
[M]- 203.92081858 121.5
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