CID 59682880

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

232.9607 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.967976 139.2
[M+Na]+ 255.949918 152.1
[M-H]- 231.953424 145.7
[M+NH4]+ 250.994523 161.7
[M+K]+ 271.923858 138.9
[M+H-H2O]+ 215.957960 140.0
[M+HCOO]- 277.958901 158.0
[M+CH3COO]- 291.974551 189.3
[M+Na-2H]- 253.935366 147.3
[M]+ 232.96015142 159.0
[M]- 232.96124858 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

patents stripe