CID 21679977

Yekyxqaijsozra-uhfffaoysa-

Structural Information

Molecular Formula
C11H9IO
SMILES
C1C2CC(=O)C1C3=C2C(=CC=C3)I
InChI
InChI=1S/C11H9IO/c12-9-3-1-2-7-8-4-6(11(7)9)5-10(8)13/h1-3,6,8H,4-5H2
InChIKey
YEKYXQAIJSOZRA-UHFFFAOYSA-N
Compound name
3-iodotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.96982 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.977096 135.0
[M+Na]+ 306.959038 138.4
[M-H]- 282.962544 132.7
[M+NH4]+ 302.003643 156.7
[M+K]+ 322.932978 140.4
[M+H-H2O]+ 266.967080 127.9
[M+HCOO]- 328.968021 152.5
[M+CH3COO]- 342.983671 145.8
[M+Na-2H]- 304.944486 128.8
[M]+ 283.96927142 133.4
[M]- 283.97036858 133.4
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.