CID 22386925

[(4-bromo-2-chlorophenyl)methyl](methyl)amine

Structural Information

Molecular Formula
C8H9BrClN
SMILES
CNCC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C8H9BrClN/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3
InChIKey
ADKPEERULMOOKJ-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-chlorophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

232.9607 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.96798 140.5
[M+Na]+ 255.94992 145.3
[M+NH4]+ 250.99452 146.6
[M+K]+ 271.92386 143.5
[M-H]- 231.95342 142.5
[M+Na-2H]- 253.93537 145.3
[M]+ 232.96015 140.9
[M]- 232.96125 140.9
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