CID 12217066

5-bromo-3-methyl-1-phenyl-1h-1,2,4-triazole

Structural Information

Molecular Formula
C9H8BrN3
SMILES
CC1=NN(C(=N1)Br)C2=CC=CC=C2
InChI
InChI=1S/C9H8BrN3/c1-7-11-9(10)13(12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
JZIVJYZRSFZOQO-UHFFFAOYSA-N
Compound name
5-bromo-3-methyl-1-phenyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.99016 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99744 147.1
[M+Na]+ 259.97938 152.1
[M+NH4]+ 255.02398 151.8
[M+K]+ 275.95332 152.7
[M-H]- 235.98288 148.1
[M+Na-2H]- 257.96483 152.3
[M]+ 236.98961 147.0
[M]- 236.99071 147.0
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.