CID 543216

4-iodobut-1-ene

Structural Information

Molecular Formula
C4H7I
SMILES
C=CCCI
InChI
InChI=1S/C4H7I/c1-2-3-4-5/h2H,1,3-4H2
InChIKey
VUSYNHBKPCGGCI-UHFFFAOYSA-N
Compound name
4-iodobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

607
Patents

181.95924 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.966516 121.2
[M+Na]+ 204.948458 122.3
[M-H]- 180.951964 115.1
[M+NH4]+ 199.993063 140.5
[M+K]+ 220.922398 127.6
[M+H-H2O]+ 164.956500 113.8
[M+HCOO]- 226.957441 140.5
[M+CH3COO]- 240.973091 172.9
[M+Na-2H]- 202.933906 116.8
[M]+ 181.95869142 118.7
[M]- 181.95978858 118.7
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