CID 28911288

3-(4-bromophenyl)aniline

Structural Information

Molecular Formula
C12H10BrN
SMILES
C1=CC(=CC(=C1)N)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H10BrN/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8H,14H2
InChIKey
FZYOAXSSNIJFCY-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

246.99966 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.006936 146.6
[M+Na]+ 269.988878 157.8
[M-H]- 245.992384 155.6
[M+NH4]+ 265.033483 167.0
[M+K]+ 285.962818 145.5
[M+H-H2O]+ 229.996920 145.8
[M+HCOO]- 291.997861 169.3
[M+CH3COO]- 306.013511 161.6
[M+Na-2H]- 267.974326 154.3
[M]+ 246.99911142 162.8
[M]- 247.00020858 162.8
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

patents stripe