CID 20543754

146948-68-7

Structural Information

Molecular Formula
C7H7BrClN
SMILES
CC1=CC(=CC(=C1N)Br)Cl
InChI
InChI=1S/C7H7BrClN/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,10H2,1H3
InChIKey
PLGLAPAIOBPKMR-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

218.94504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.952316 135.1
[M+Na]+ 241.934258 149.2
[M-H]- 217.937764 141.6
[M+NH4]+ 236.978863 158.2
[M+K]+ 257.908198 135.9
[M+H-H2O]+ 201.942300 136.3
[M+HCOO]- 263.943241 153.5
[M+CH3COO]- 277.958891 186.9
[M+Na-2H]- 239.919706 142.0
[M]+ 218.94449142 153.9
[M]- 218.94558858 153.9
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