CID 13297793

4-amino-3-chlorobenzaldehyde

Structural Information

Molecular Formula
C7H6ClNO
SMILES
C1=CC(=C(C=C1C=O)Cl)N
InChI
InChI=1S/C7H6ClNO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H,9H2
InChIKey
FNTUAAGLCQIYTB-UHFFFAOYSA-N
Compound name
4-amino-3-chlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

155.0138 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02108 126.5
[M+Na]+ 178.00302 140.5
[M+NH4]+ 173.04762 135.9
[M+K]+ 193.97696 133.5
[M-H]- 154.00652 129.5
[M+Na-2H]- 175.98847 134.2
[M]+ 155.01325 129.6
[M]- 155.01435 129.6
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

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