CID 7018299

3-bromo-n-methylaniline

Structural Information

Molecular Formula
C7H8BrN
SMILES
CNC1=CC(=CC=C1)Br
InChI
InChI=1S/C7H8BrN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKey
HKOSFZXROYRVJT-UHFFFAOYSA-N
Compound name
3-bromo-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

578
Patents

184.98401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.991286 129.3
[M+Na]+ 207.973228 140.7
[M-H]- 183.976734 135.9
[M+NH4]+ 203.017833 152.5
[M+K]+ 223.947168 130.0
[M+H-H2O]+ 167.981270 129.5
[M+HCOO]- 229.982211 152.8
[M+CH3COO]- 243.997861 181.9
[M+Na-2H]- 205.958676 139.0
[M]+ 184.98346142 146.7
[M]- 184.98455858 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe