CID 15661490

3-(3-bromophenyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

246.99966 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00694 146.6
[M+Na]+ 269.98888 157.8
[M-H]- 245.99238 155.6
[M+NH4]+ 265.03348 167.0
[M+K]+ 285.96282 145.5
[M+H-H2O]+ 229.99692 145.8
[M+HCOO]- 291.99786 169.3
[M+CH3COO]- 306.01351 161.6
[M+Na-2H]- 267.97433 154.3
[M]+ 246.99911 162.8
[M]- 247.00021 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