CID 72215949

(4-bromo-6-chloropyridin-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C6H6BrClN2
SMILES
C1=C(C=C(N=C1CN)Cl)Br
InChI
InChI=1S/C6H6BrClN2/c7-4-1-5(3-9)10-6(8)2-4/h1-2H,3,9H2
InChIKey
LSTODWHTNLBGTJ-UHFFFAOYSA-N
Compound name
(4-bromo-6-chloropyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.94029 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.94757 133.5
[M+Na]+ 242.92951 147.1
[M-H]- 218.93301 138.4
[M+NH4]+ 237.97411 155.0
[M+K]+ 258.90345 134.0
[M+H-H2O]+ 202.93755 133.8
[M+HCOO]- 264.93849 151.1
[M+CH3COO]- 278.95414 185.5
[M+Na-2H]- 240.91496 141.8
[M]+ 219.93974 152.2
[M]- 219.94084 152.2
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