CID 165985492

5-bromo-3-ethynyl-1-methyl-1h-indazole

Structural Information

Molecular Formula
C10H7BrN2
SMILES
CN1C2=C(C=C(C=C2)Br)C(=N1)C#C
InChI
InChI=1S/C10H7BrN2/c1-3-9-8-6-7(11)4-5-10(8)13(2)12-9/h1,4-6H,2H3
InChIKey
FICYRICNGIHEGM-UHFFFAOYSA-N
Compound name
5-bromo-3-ethynyl-1-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.97926 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.986536 139.5
[M+Na]+ 256.968478 156.7
[M-H]- 232.971984 141.8
[M+NH4]+ 252.013083 159.3
[M+K]+ 272.942418 143.2
[M+H-H2O]+ 216.976520 132.8
[M+HCOO]- 278.977461 157.4
[M+CH3COO]- 292.993111 153.6
[M+Na-2H]- 254.953926 146.2
[M]+ 233.97871142 153.3
[M]- 233.97980858 153.3
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

No patent data available for this compound.