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]+ 253.91335 139.3
[M+Na]+ 275.89529 153.9
[M-H]- 251.89879 145.5
[M+NH4]+ 270.93989 161.7
[M+K]+ 291.86923 139.6
[M+H-H2O]+ 235.90333 141.2
[M+HCOO]- 297.90427 153.5
[M+CH3COO]- 311.91992 192.0
[M+Na-2H]- 273.88074 146.6
[M]+ 252.90552 159.8
[M]- 252.90662 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.