CID 47003290

[3-(4-bromophenyl)-1h-1,2,4-triazol-5-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C9H9BrN4
SMILES
C1=CC(=CC=C1C2=NNC(=N2)CN)Br
InChI
InChI=1S/C9H9BrN4/c10-7-3-1-6(2-4-7)9-12-8(5-11)13-14-9/h1-4H,5,11H2,(H,12,13,14)
InChIKey
YCPMYQCFQXLMLH-UHFFFAOYSA-N
Compound name
[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.00105 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00833 152.8
[M+Na]+ 274.99027 156.0
[M+NH4]+ 270.03487 156.6
[M+K]+ 290.96421 157.3
[M-H]- 250.99377 153.4
[M+Na-2H]- 272.97572 156.6
[M]+ 252.00050 152.1
[M]- 252.00160 152.1
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

No patent data available for this compound.