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]+ 228.013086 141.2
[M+Na]+ 249.995028 150.7
[M-H]- 225.998534 147.6
[M+NH4]+ 245.039633 161.9
[M+K]+ 265.968968 139.0
[M+H-H2O]+ 210.003070 139.0
[M+HCOO]- 272.004011 165.5
[M+CH3COO]- 286.019661 194.5
[M+Na-2H]- 247.980476 147.8
[M]+ 227.00526142 155.7
[M]- 227.00635858 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.