CID 75480589

N-amino-2-(3-bromophenyl)ethanimidamide hydrochloride

Structural Information

Molecular Formula
C8H10BrN3
SMILES
C1=CC(=CC(=C1)Br)C/C(=N/N)/N
InChI
InChI=1S/C8H10BrN3/c9-7-3-1-2-6(4-7)5-8(10)12-11/h1-4H,5,11H2,(H2,10,12)
InChIKey
SWSLSHJHNRXEHH-UHFFFAOYSA-N
Compound name
N'-amino-2-(3-bromophenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.00581 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01309 141.2
[M+Na]+ 249.99503 150.7
[M-H]- 225.99853 147.6
[M+NH4]+ 245.03963 161.9
[M+K]+ 265.96897 139.0
[M+H-H2O]+ 210.00307 139.0
[M+HCOO]- 272.00401 165.5
[M+CH3COO]- 286.01966 194.5
[M+Na-2H]- 247.98048 147.8
[M]+ 227.00526 155.7
[M]- 227.00636 155.7
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

No patent data available for this compound.