CID 15100860

1245806-87-4

Structural Information

Molecular Formula
C6H6BrN3
SMILES
C1=CC(=NC(=C1)Br)C(=N)N
InChI
InChI=1S/C6H6BrN3/c7-5-3-1-2-4(10-5)6(8)9/h1-3H,(H3,8,9)
InChIKey
ZEMZCCWJPBSOPD-UHFFFAOYSA-N
Compound name
6-bromopyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

198.9745 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.98178 131.4
[M+Na]+ 221.96372 142.3
[M-H]- 197.96722 136.2
[M+NH4]+ 217.00832 152.0
[M+K]+ 237.93766 130.7
[M+H-H2O]+ 181.97176 130.1
[M+HCOO]- 243.97270 153.6
[M+CH3COO]- 257.98835 185.4
[M+Na-2H]- 219.94917 139.8
[M]+ 198.97395 146.0
[M]- 198.97505 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe