CID 21532781

851046-05-4

Structural Information

Molecular Formula
C10H8IN
SMILES
C1=CC=C2C(=C1)C(=CC=C2I)N
InChI
InChI=1S/C10H8IN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2
InChIKey
AIZKSLYFNFNRRU-UHFFFAOYSA-N
Compound name
4-iodonaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

268.97015 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97743 139.6
[M+Na]+ 291.95937 141.7
[M-H]- 267.96287 136.9
[M+NH4]+ 287.00397 156.2
[M+K]+ 307.93331 143.9
[M+H-H2O]+ 251.96741 130.2
[M+HCOO]- 313.96835 158.7
[M+CH3COO]- 327.98400 149.3
[M+Na-2H]- 289.94482 135.9
[M]+ 268.96960 135.2
[M]- 268.97070 135.2
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