CID 50998128

(4-bromo-3-chlorophenyl)methanamine

Structural Information

Molecular Formula
C7H7BrClN
SMILES
C1=CC(=C(C=C1CN)Cl)Br
InChI
InChI=1S/C7H7BrClN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKey
HQEHGBULSMIQAN-UHFFFAOYSA-N
Compound name
(4-bromo-3-chlorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

218.94504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.952316 135.5
[M+Na]+ 241.934258 148.8
[M-H]- 217.937764 141.7
[M+NH4]+ 236.978863 158.3
[M+K]+ 257.908198 135.5
[M+H-H2O]+ 201.942300 136.5
[M+HCOO]- 263.943241 154.0
[M+CH3COO]- 277.958891 185.9
[M+Na-2H]- 239.919706 143.1
[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