CID 549222

1-iodocyclopent-1-ene

Structural Information

Molecular Formula
C5H7I
SMILES
C1CC=C(C1)I
InChI
InChI=1S/C5H7I/c6-5-3-1-2-4-5/h3H,1-2,4H2
InChIKey
TYOSEWMRNVIYNB-UHFFFAOYSA-N
Compound name
1-iodocyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

193.95924 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.96652 122.2
[M+Na]+ 216.94846 122.9
[M-H]- 192.95196 118.8
[M+NH4]+ 211.99306 142.4
[M+K]+ 232.92240 128.0
[M+H-H2O]+ 176.95650 114.0
[M+HCOO]- 238.95744 141.9
[M+CH3COO]- 252.97309 172.4
[M+Na-2H]- 214.93391 116.7
[M]+ 193.95869 117.6
[M]- 193.95979 117.6
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