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]+ 284.97710 135.0
[M+Na]+ 306.95904 138.4
[M-H]- 282.96254 132.7
[M+NH4]+ 302.00364 156.7
[M+K]+ 322.93298 140.4
[M+H-H2O]+ 266.96708 127.9
[M+HCOO]- 328.96802 152.5
[M+CH3COO]- 342.98367 145.8
[M+Na-2H]- 304.94449 128.8
[M]+ 283.96927 133.4
[M]- 283.97037 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.