CID 122154987

5-(4-bromophenyl)-n-methyl-4h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C9H9BrN4
SMILES
CNC1=NNC(=N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H9BrN4/c1-11-9-12-8(13-14-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,12,13,14)
InChIKey
GWQWPZWYJWFRMP-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-N-methyl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.00105 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00833 144.6
[M+Na]+ 274.99027 156.9
[M-H]- 250.99377 149.4
[M+NH4]+ 270.03487 162.5
[M+K]+ 290.96421 144.4
[M+H-H2O]+ 234.99831 142.5
[M+HCOO]- 296.99925 164.8
[M+CH3COO]- 311.01490 158.8
[M+Na-2H]- 272.97572 152.4
[M]+ 252.00050 161.4
[M]- 252.00160 161.4
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.