CID 3018526

3-bromo-5-methylaniline

Structural Information

Molecular Formula
C7H8BrN
SMILES
CC1=CC(=CC(=C1)Br)N
InChI
InChI=1S/C7H8BrN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3
InChIKey
YIZRPAWCIFTHNA-UHFFFAOYSA-N
Compound name
3-bromo-5-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

545
Patents

184.98401 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99129 129.8
[M+Na]+ 207.97323 133.8
[M+NH4]+ 203.01783 135.7
[M+K]+ 223.94717 133.3
[M-H]- 183.97673 131.7
[M+Na-2H]- 205.95868 134.4
[M]+ 184.98346 129.7
[M]- 184.98456 129.7
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