CID 70110

2-bromo-4-chloroaniline

Structural Information

Molecular Formula
C6H5BrClN
SMILES
C1=CC(=C(C=C1Cl)Br)N
InChI
InChI=1S/C6H5BrClN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
InChIKey
SYTBIFURTZACKR-UHFFFAOYSA-N
Compound name
2-bromo-4-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1176
Patents

204.9294 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe