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

39
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 127.0
[M+Na]+ 178.00302 137.4
[M-H]- 154.00652 130.9
[M+NH4]+ 173.04762 148.9
[M+K]+ 193.97696 133.5
[M+H-H2O]+ 138.01106 122.8
[M+HCOO]- 200.01200 148.5
[M+CH3COO]- 214.02765 176.6
[M+Na-2H]- 175.98847 133.7
[M]+ 155.01325 127.9
[M]- 155.01435 127.9
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