CID 5020713

2-(4-bromophenyl)ethanimidamide hydrochloride

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1=CC(=CC=C1CC(=N)N)Br
InChI
InChI=1S/C8H9BrN2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKey
UZAORPZGWBQCRV-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

211.9949 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 137.9
[M+Na]+ 234.98412 147.9
[M-H]- 210.98762 143.6
[M+NH4]+ 230.02872 159.1
[M+K]+ 250.95806 135.9
[M+H-H2O]+ 194.99216 136.9
[M+HCOO]- 256.99310 160.5
[M+CH3COO]- 271.00875 188.6
[M+Na-2H]- 232.96957 144.9
[M]+ 211.99435 152.5
[M]- 211.99545 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