CID 7257

3,4-dichloroaniline

Structural Information

Molecular Formula
C6H5Cl2N
SMILES
C1=CC(=C(C=C1N)Cl)Cl
InChI
InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChIKey
SDYWXFYBZPNOFX-UHFFFAOYSA-N
Compound name
3,4-dichloroaniline
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

253
References

5741
Patents

160.9799 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.98718 126.0
[M+Na]+ 183.96912 141.0
[M+NH4]+ 179.01372 136.3
[M+K]+ 199.94306 133.2
[M-H]- 159.97262 129.5
[M+Na-2H]- 181.95457 134.5
[M]+ 160.97935 129.8
[M]- 160.98045 129.8
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