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]+ 234.98654 139.5
[M+Na]+ 256.96848 156.7
[M-H]- 232.97198 141.8
[M+NH4]+ 252.01308 159.3
[M+K]+ 272.94242 143.2
[M+H-H2O]+ 216.97652 132.8
[M+HCOO]- 278.97746 157.4
[M+CH3COO]- 292.99311 153.6
[M+Na-2H]- 254.95393 146.2
[M]+ 233.97871 153.3
[M]- 233.97981 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.