CID 24728894

6-bromo-1h-indazole-3-carbonitrile

Structural Information

Molecular Formula
C8H4BrN3
SMILES
C1=CC2=C(C=C1Br)NN=C2C#N
InChI
InChI=1S/C8H4BrN3/c9-5-1-2-6-7(3-5)11-12-8(6)4-10/h1-3H,(H,11,12)
InChIKey
BNMHCHQOAQMIBU-UHFFFAOYSA-N
Compound name
6-bromo-1H-indazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

220.95886 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.966136 135.9
[M+Na]+ 243.948078 152.0
[M-H]- 219.951584 137.8
[M+NH4]+ 238.992683 155.3
[M+K]+ 259.922018 138.7
[M+H-H2O]+ 203.956120 128.4
[M+HCOO]- 265.957061 155.0
[M+CH3COO]- 279.972711 149.7
[M+Na-2H]- 241.933526 144.3
[M]+ 220.95831142 147.9
[M]- 220.95940858 147.9
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

patents stripe