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

67
Patents

261.01532 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02260 150.5
[M+Na]+ 284.00454 160.6
[M-H]- 260.00804 160.8
[M+NH4]+ 279.04914 171.0
[M+K]+ 299.97848 149.8
[M+H-H2O]+ 244.01258 149.3
[M+HCOO]- 306.01352 174.0
[M+CH3COO]- 320.02917 197.9
[M+Na-2H]- 281.98999 158.7
[M]+ 261.01477 168.7
[M]- 261.01587 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