CID 82527

1-chloro-4-iodobutane

Structural Information

Molecular Formula
C4H8ClI
SMILES
C(CCI)CCl
InChI
InChI=1S/C4H8ClI/c5-3-1-2-4-6/h1-4H2
InChIKey
JXOSPTBRSOYXGC-UHFFFAOYSA-N
Compound name
1-chloro-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

960
Patents

217.93593 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.943206 127.0
[M+Na]+ 240.925148 128.6
[M-H]- 216.928654 120.7
[M+NH4]+ 235.969753 145.8
[M+K]+ 256.899088 132.3
[M+H-H2O]+ 200.933190 120.3
[M+HCOO]- 262.934131 141.9
[M+CH3COO]- 276.949781 177.5
[M+Na-2H]- 238.910596 122.3
[M]+ 217.93538142 126.8
[M]- 217.93647858 126.8
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