CID 519429

1-iodocyclohexene

Structural Information

Molecular Formula
C6H9I
SMILES
C1CCC(=CC1)I
InChI
InChI=1S/C6H9I/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKey
CAROGICRCNKEOD-UHFFFAOYSA-N
Compound name
1-iodocyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

86
Patents

207.9749 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.98218 125.7
[M+Na]+ 230.96412 125.0
[M-H]- 206.96762 121.9
[M+NH4]+ 226.00872 143.6
[M+K]+ 246.93806 130.0
[M+H-H2O]+ 190.97216 117.2
[M+HCOO]- 252.97310 143.1
[M+CH3COO]- 266.98875 175.4
[M+Na-2H]- 228.94957 121.1
[M]+ 207.97435 119.5
[M]- 207.97545 119.5
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