CID 21899253

4-bromo-n-methyl-n-phenylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

261.01532 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.022596 150.5
[M+Na]+ 284.004538 160.6
[M-H]- 260.008044 160.8
[M+NH4]+ 279.049143 171.0
[M+K]+ 299.978478 149.8
[M+H-H2O]+ 244.012580 149.3
[M+HCOO]- 306.013521 174.0
[M+CH3COO]- 320.029171 197.9
[M+Na-2H]- 281.989986 158.7
[M]+ 261.01477142 168.7
[M]- 261.01586858 168.7
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