CID 62915048

5-bromo-2-chloro-n-methylaniline

Structural Information

Molecular Formula
C7H7BrClN
SMILES
CNC1=C(C=CC(=C1)Br)Cl
InChI
InChI=1S/C7H7BrClN/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,1H3
InChIKey
WRMJNLGRYJFKEK-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.94504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.952316 134.5
[M+Na]+ 241.934258 147.8
[M-H]- 217.937764 141.2
[M+NH4]+ 236.978863 157.6
[M+K]+ 257.908198 134.9
[M+H-H2O]+ 201.942300 135.6
[M+HCOO]- 263.943241 153.6
[M+CH3COO]- 277.958891 186.5
[M+Na-2H]- 239.919706 143.2
[M]+ 218.94449142 154.0
[M]- 218.94558858 154.0
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