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

253
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 131.6
[M+Na]+ 227.91862 136.5
[M+NH4]+ 222.96322 137.9
[M+K]+ 243.89256 135.4
[M-H]- 203.92212 133.5
[M+Na-2H]- 225.90407 136.5
[M]+ 204.92885 132.0
[M]- 204.92995 132.0
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