CID 122170246

6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine

Structural Information

Molecular Formula
C6H2BrCl2N3
SMILES
C1=C2C(=NC(=NN2C=C1Br)Cl)Cl
InChI
InChI=1S/C6H2BrCl2N3/c7-3-1-4-5(8)10-6(9)11-12(4)2-3/h1-2H
InChIKey
NRVGOQKEQWXMOO-UHFFFAOYSA-N
Compound name
6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

264.88092 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.88820 137.1
[M+Na]+ 287.87014 155.3
[M-H]- 263.87364 141.1
[M+NH4]+ 282.91474 158.4
[M+K]+ 303.84408 141.7
[M+H-H2O]+ 247.87818 137.3
[M+HCOO]- 309.87912 149.0
[M+CH3COO]- 323.89477 153.2
[M+Na-2H]- 285.85559 146.2
[M]+ 264.88037 160.2
[M]- 264.88147 160.2
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