CID 22067102

4-iodonaphthalen-2-ol

Structural Information

Molecular Formula
C10H7IO
SMILES
C1=CC=C2C(=C1)C=C(C=C2I)O
InChI
InChI=1S/C10H7IO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H
InChIKey
JKINECWFYOOHFJ-UHFFFAOYSA-N
Compound name
4-iodonaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

269.95416 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96144 137.0
[M+Na]+ 292.94338 139.4
[M-H]- 268.94688 133.6
[M+NH4]+ 287.98798 153.4
[M+K]+ 308.91732 141.8
[M+H-H2O]+ 252.95142 128.1
[M+HCOO]- 314.95236 154.5
[M+CH3COO]- 328.96801 185.1
[M+Na-2H]- 290.92883 133.7
[M]+ 269.95361 133.9
[M]- 269.95471 133.9
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

patents stripe