CID 4620241

3-bromobenzamidine hydrochloride

Structural Information

Molecular Formula
C7H7BrN2
SMILES
C1=CC(=CC(=C1)Br)C(=N)N
InChI
InChI=1S/C7H7BrN2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H3,9,10)
InChIKey
JKYFHENVIWHGLJ-UHFFFAOYSA-N
Compound name
3-bromobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

278
Patents

197.97926 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98654 133.2
[M+Na]+ 220.96848 135.4
[M+NH4]+ 216.01308 138.3
[M+K]+ 236.94242 135.8
[M-H]- 196.97198 134.8
[M+Na-2H]- 218.95393 137.2
[M]+ 197.97871 132.6
[M]- 197.97981 132.6
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