CID 45039

4-amino-3,5-dichlorobenzamide

Structural Information

Molecular Formula
C7H6Cl2N2O
SMILES
C1=C(C=C(C(=C1Cl)N)Cl)C(=O)N
InChI
InChI=1S/C7H6Cl2N2O/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H2,11,12)
InChIKey
CRYCKBHVODBYAQ-UHFFFAOYSA-N
Compound name
4-amino-3,5-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

203.98572 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99300 139.2
[M+Na]+ 226.97494 149.6
[M-H]- 202.97844 142.1
[M+NH4]+ 222.01954 158.9
[M+K]+ 242.94888 144.3
[M+H-H2O]+ 186.98298 135.7
[M+HCOO]- 248.98392 154.9
[M+CH3COO]- 262.99957 187.8
[M+Na-2H]- 224.96039 142.0
[M]+ 203.98517 139.2
[M]- 203.98627 139.2
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