CID 18677111

5-iodonaphthalen-2-ol

Structural Information

Molecular Formula
C10H7IO
SMILES
C1=CC2=C(C=CC(=C2)O)C(=C1)I
InChI
InChI=1S/C10H7IO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-6,12H
InChIKey
CVEDCNVEFNTPDU-UHFFFAOYSA-N
Compound name
5-iodonaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

literature stripe

Patent stripe

patents stripe