CID 16227286

[5-(4-bromophenyl)furan-2-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C11H10BrNO
SMILES
C1=CC(=CC=C1C2=CC=C(O2)CN)Br
InChI
InChI=1S/C11H10BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H,7,13H2
InChIKey
XAJMJYPAJNLKIS-UHFFFAOYSA-N
Compound name
[5-(4-bromophenyl)furan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

250.99458 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.001856 150.0
[M+Na]+ 273.983798 161.7
[M-H]- 249.987304 159.7
[M+NH4]+ 269.028403 170.8
[M+K]+ 289.957738 151.1
[M+H-H2O]+ 233.991840 149.4
[M+HCOO]- 295.992781 173.1
[M+CH3COO]- 310.008431 191.2
[M+Na-2H]- 271.969246 156.4
[M]+ 250.99403142 168.4
[M]- 250.99512858 168.4
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