CID 24694721

2-(3-bromophenyl)ethanimidamide hydrochloride

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1=CC(=CC(=C1)Br)CC(=N)N
InChI
InChI=1S/C8H9BrN2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKey
DYEFWNZFPCPHSM-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

211.9949 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.002176 137.9
[M+Na]+ 234.984118 147.9
[M-H]- 210.987624 143.6
[M+NH4]+ 230.028723 159.1
[M+K]+ 250.958058 135.9
[M+H-H2O]+ 194.992160 136.9
[M+HCOO]- 256.993101 160.5
[M+CH3COO]- 271.008751 188.6
[M+Na-2H]- 232.969566 144.9
[M]+ 211.99435142 152.5
[M]- 211.99544858 152.5
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