CID 165935272

2-(4-bromo-1h-1,2,3-triazol-1-yl)pyrimidine

Structural Information

Molecular Formula
C6H4BrN5
SMILES
C1=CN=C(N=C1)N2C=C(N=N2)Br
InChI
InChI=1S/C6H4BrN5/c7-5-4-12(11-10-5)6-8-2-1-3-9-6/h1-4H
InChIKey
CGVJPIWKQXZJOA-UHFFFAOYSA-N
Compound name
2-(4-bromotriazol-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.96501 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.97229 133.0
[M+Na]+ 247.95423 147.2
[M-H]- 223.95773 136.8
[M+NH4]+ 242.99883 150.2
[M+K]+ 263.92817 136.5
[M+H-H2O]+ 207.96227 130.8
[M+HCOO]- 269.96321 152.3
[M+CH3COO]- 283.97886 148.1
[M+Na-2H]- 245.93968 143.2
[M]+ 224.96446 151.9
[M]- 224.96556 151.9
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.