CID 130362887

1909271-34-6

Structural Information

Molecular Formula
C8H5BrN4
SMILES
C#CC1=C2C(=NC=NN2C(=C1)Br)N
InChI
InChI=1S/C8H5BrN4/c1-2-5-3-6(9)13-7(5)8(10)11-4-12-13/h1,3-4H,(H2,10,11,12)
InChIKey
AIQWWMOHDOQCHD-UHFFFAOYSA-N
Compound name
7-bromo-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

235.96976 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.977036 137.9
[M+Na]+ 258.958978 154.2
[M-H]- 234.962484 138.2
[M+NH4]+ 254.003583 155.5
[M+K]+ 274.932918 141.1
[M+H-H2O]+ 218.967020 129.8
[M+HCOO]- 280.967961 155.2
[M+CH3COO]- 294.983611 151.0
[M+Na-2H]- 256.944426 144.8
[M]+ 235.96921142 149.7
[M]- 235.97030858 149.7
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

patents stripe