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

98
Patents

246.94942 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.956696 137.7
[M+Na]+ 269.938638 139.7
[M-H]- 245.942144 134.5
[M+NH4]+ 264.983243 154.1
[M+K]+ 285.912578 143.4
[M+H-H2O]+ 229.946680 128.6
[M+HCOO]- 291.947621 158.1
[M+CH3COO]- 305.963271 184.5
[M+Na-2H]- 267.924086 131.8
[M]+ 246.94887142 134.1
[M]- 246.94996858 134.1
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