CID 67105640

7-bromo-3h-[1,2,3]triazolo[4,5-b]pyridine

Structural Information

Molecular Formula
C5H3BrN4
SMILES
C1=C(C2=NNN=C2N=C1)Br
InChI
InChI=1S/C5H3BrN4/c6-3-1-2-7-5-4(3)8-10-9-5/h1-2H,(H,7,8,9,10)
InChIKey
OVQVIOPGKYJLFN-UHFFFAOYSA-N
Compound name
7-bromo-2H-triazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

197.95412 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96140 127.4
[M+Na]+ 220.94334 142.6
[M-H]- 196.94684 129.3
[M+NH4]+ 215.98794 147.6
[M+K]+ 236.91728 131.2
[M+H-H2O]+ 180.95138 126.7
[M+HCOO]- 242.95232 146.7
[M+CH3COO]- 256.96797 143.0
[M+Na-2H]- 218.92879 139.0
[M]+ 197.95357 146.3
[M]- 197.95467 146.3
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