CID 177799312

3017232-65-1

Structural Information

Molecular Formula
C8H8BrCl2N
SMILES
CNCC1=C(C=CC(=C1Cl)Cl)Br
InChI
InChI=1S/C8H8BrCl2N/c1-12-4-5-6(9)2-3-7(10)8(5)11/h2-3,12H,4H2,1H3
InChIKey
OUZOQCATNHXUPU-UHFFFAOYSA-N
Compound name
1-(6-bromo-2,3-dichlorophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.92172 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.928996 143.9
[M+Na]+ 289.910938 158.2
[M-H]- 265.914444 150.0
[M+NH4]+ 284.955543 165.8
[M+K]+ 305.884878 143.6
[M+H-H2O]+ 249.918980 145.6
[M+HCOO]- 311.919921 157.8
[M+CH3COO]- 325.935571 194.7
[M+Na-2H]- 287.896386 150.7
[M]+ 266.92117142 164.8
[M]- 266.92226858 164.8
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.