CID 21945878

310436-61-4

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=CN2C(=C1)C(=NC=N2)Br
InChI
InChI=1S/C6H4BrN3/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H
InChIKey
YQVMCGYJLCKMEN-UHFFFAOYSA-N
Compound name
4-bromopyrrolo[2,1-f][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

196.95886 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96614 134.2
[M+Na]+ 219.94808 139.3
[M+NH4]+ 214.99268 139.4
[M+K]+ 235.92202 140.1
[M-H]- 195.95158 133.9
[M+Na-2H]- 217.93353 138.7
[M]+ 196.95831 133.6
[M]- 196.95941 133.6
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

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