CID 3084709

3-bromo-5-chloroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

204.9294 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.936676 130.8
[M+Na]+ 227.918618 144.5
[M-H]- 203.922124 137.2
[M+NH4]+ 222.963223 154.1
[M+K]+ 243.892558 131.5
[M+H-H2O]+ 187.926660 132.1
[M+HCOO]- 249.927601 149.6
[M+CH3COO]- 263.943251 183.0
[M+Na-2H]- 225.904066 138.9
[M]+ 204.92885142 149.0
[M]- 204.92994858 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