CID 15622586

4-(4-bromophenyl)-n-methylaniline

Structural Information

Molecular Formula
C13H12BrN
SMILES
CNC1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H12BrN/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9,15H,1H3
InChIKey
WLIYEANDXDNXHV-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

261.01532 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.022596 150.2
[M+Na]+ 284.004538 161.0
[M-H]- 260.008044 159.4
[M+NH4]+ 279.049143 170.3
[M+K]+ 299.978478 148.8
[M+H-H2O]+ 244.012580 149.2
[M+HCOO]- 306.013521 173.2
[M+CH3COO]- 320.029171 195.7
[M+Na-2H]- 281.989986 158.4
[M]+ 261.01477142 167.6
[M]- 261.01586858 167.6
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