CID 14221030

2-amino-5-iodobenzaldehyde

Structural Information

Molecular Formula
C7H6INO
SMILES
C1=CC(=C(C=C1I)C=O)N
InChI
InChI=1S/C7H6INO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2
InChIKey
TXABUHLZTXEVNP-UHFFFAOYSA-N
Compound name
2-amino-5-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

246.94942 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.95670 137.1
[M+Na]+ 269.93864 142.2
[M+NH4]+ 264.98324 141.4
[M+K]+ 285.91258 139.1
[M-H]- 245.94214 133.5
[M+Na-2H]- 267.92409 131.3
[M]+ 246.94887 135.6
[M]- 246.94997 135.6
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