CID 15946465

4-iodohepta-1,6-diene

Structural Information

Molecular Formula
C7H11I
SMILES
C=CCC(CC=C)I
InChI
InChI=1S/C7H11I/c1-3-5-7(8)6-4-2/h3-4,7H,1-2,5-6H2
InChIKey
JZLNWJVJFSFPLC-UHFFFAOYSA-N
Compound name
4-iodohepta-1,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.99055 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99783 133.7
[M+Na]+ 244.97977 133.7
[M-H]- 220.98327 127.3
[M+NH4]+ 240.02437 151.4
[M+K]+ 260.95371 138.0
[M+H-H2O]+ 204.98781 125.9
[M+HCOO]- 266.98875 151.3
[M+CH3COO]- 281.00440 181.3
[M+Na-2H]- 242.96522 126.5
[M]+ 221.99000 131.0
[M]- 221.99110 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.