CID 12843722

3-bromo-4-chloroaniline

Structural Information

Molecular Formula
C6H5BrClN
SMILES
C1=CC(=C(C=C1N)Br)Cl
InChI
InChI=1S/C6H5BrClN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
InChIKey
FVZODFVCIDBDGS-UHFFFAOYSA-N
Compound name
3-bromo-4-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
Patents

204.9294 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.93668 130.8
[M+Na]+ 227.91862 144.5
[M-H]- 203.92212 137.2
[M+NH4]+ 222.96322 154.1
[M+K]+ 243.89256 131.5
[M+H-H2O]+ 187.92666 132.1
[M+HCOO]- 249.92760 149.6
[M+CH3COO]- 263.94325 183.0
[M+Na-2H]- 225.90407 138.9
[M]+ 204.92885 149.0
[M]- 204.92995 149.0
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