CID 104589247

4-bromo-2,3-dichloro-n-methylaniline

Structural Information

Molecular Formula
C7H6BrCl2N
SMILES
CNC1=C(C(=C(C=C1)Br)Cl)Cl
InChI
InChI=1S/C7H6BrCl2N/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,11H,1H3
InChIKey
QKWDKXNUSMGULY-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dichloro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.90607 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.913346 139.3
[M+Na]+ 275.895288 153.9
[M-H]- 251.898794 145.5
[M+NH4]+ 270.939893 161.7
[M+K]+ 291.869228 139.6
[M+H-H2O]+ 235.903330 141.2
[M+HCOO]- 297.904271 153.5
[M+CH3COO]- 311.919921 192.0
[M+Na-2H]- 273.880736 146.6
[M]+ 252.90552142 159.8
[M]- 252.90661858 159.8
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

No patent data available for this compound.