CID 23587255

2-amino-3,5-dichlorobenzaldehyde

Structural Information

Molecular Formula
C7H5Cl2NO
SMILES
C1=C(C=C(C(=C1C=O)N)Cl)Cl
InChI
InChI=1S/C7H5Cl2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2
InChIKey
GTAKYWVLPLTYSK-UHFFFAOYSA-N
Compound name
2-amino-3,5-dichlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

188.97482 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.982096 133.2
[M+Na]+ 211.964038 144.8
[M-H]- 187.967544 136.6
[M+NH4]+ 207.008643 154.3
[M+K]+ 227.937978 139.4
[M+H-H2O]+ 171.972080 130.1
[M+HCOO]- 233.973021 149.5
[M+CH3COO]- 247.988671 182.6
[M+Na-2H]- 209.949486 138.3
[M]+ 188.97427142 135.5
[M]- 188.97536858 135.5
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