CID 83715545

[(2-bromo-3-chlorophenyl)methyl](methyl)amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.9607 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.96798 139.2
[M+Na]+ 255.94992 152.1
[M-H]- 231.95342 145.7
[M+NH4]+ 250.99452 161.7
[M+K]+ 271.92386 138.9
[M+H-H2O]+ 215.95796 140.0
[M+HCOO]- 277.95890 158.0
[M+CH3COO]- 291.97455 189.3
[M+Na-2H]- 253.93537 147.3
[M]+ 232.96015 159.0
[M]- 232.96125 159.0
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

No patent data available for this compound.