CID 11106935

33948-36-6

Structural Information

Molecular Formula
C6H7IO
SMILES
C1CC=C(C(=O)C1)I
InChI
InChI=1S/C6H7IO/c7-5-3-1-2-4-6(5)8/h3H,1-2,4H2
InChIKey
IPFSJCDRYRZTJU-UHFFFAOYSA-N
Compound name
2-iodocyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

221.95416 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96144 127.2
[M+Na]+ 244.94338 127.7
[M-H]- 220.94688 123.8
[M+NH4]+ 239.98798 144.8
[M+K]+ 260.91732 132.5
[M+H-H2O]+ 204.95142 118.8
[M+HCOO]- 266.95236 145.0
[M+CH3COO]- 280.96801 177.4
[M+Na-2H]- 242.92883 121.9
[M]+ 221.95361 122.0
[M]- 221.95471 122.0
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