CID 3554390

4-amino-2-chlorobenzaldehyde

Structural Information

Molecular Formula
C7H6ClNO
SMILES
C1=CC(=C(C=C1N)Cl)C=O
InChI
InChI=1S/C7H6ClNO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H,9H2
InChIKey
PFZVIGWKAMJZJN-UHFFFAOYSA-N
Compound name
4-amino-2-chlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

155.0138 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe