CID 45489800

6-iodo-3,4-dihydronaphthalen-1(2h)-one

Structural Information

Molecular Formula
C10H9IO
SMILES
C1CC2=C(C=CC(=C2)I)C(=O)C1
InChI
InChI=1S/C10H9IO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2
InChIKey
TUMAMZXVZVEYLU-UHFFFAOYSA-N
Compound name
6-iodo-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

271.96982 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.97710 135.6
[M+Na]+ 294.95904 136.7
[M-H]- 270.96254 132.8
[M+NH4]+ 290.00364 152.4
[M+K]+ 310.93298 139.8
[M+H-H2O]+ 254.96708 126.5
[M+HCOO]- 316.96802 152.1
[M+CH3COO]- 330.98367 187.4
[M+Na-2H]- 292.94449 131.1
[M]+ 271.96927 130.8
[M]- 271.97037 130.8
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