CID 53485022

4-bromopyridine-2-carboximidamide hydrochloride

Structural Information

Molecular Formula
C6H6BrN3
SMILES
C1=CN=C(C=C1Br)C(=N)N
InChI
InChI=1S/C6H6BrN3/c7-4-1-2-10-5(3-4)6(8)9/h1-3H,(H3,8,9)
InChIKey
IMSYCPLDIVWPRA-UHFFFAOYSA-N
Compound name
4-bromopyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

198.9745 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe