CID 131412698

Methyl 4-bromo-2-methyl-2h-indazole-7-carboxylate

Structural Information

Molecular Formula
C10H9BrN2O2
SMILES
CN1C=C2C(=CC=C(C2=N1)C(=O)OC)Br
InChI
InChI=1S/C10H9BrN2O2/c1-13-5-7-8(11)4-3-6(9(7)12-13)10(14)15-2/h3-5H,1-2H3
InChIKey
HARMIFZDWWUGNN-UHFFFAOYSA-N
Compound name
methyl 4-bromo-2-methylindazole-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

267.98474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.992016 147.9
[M+Na]+ 290.973958 162.8
[M-H]- 266.977464 153.8
[M+NH4]+ 286.018563 169.0
[M+K]+ 306.947898 152.2
[M+H-H2O]+ 250.982000 147.6
[M+HCOO]- 312.982941 168.9
[M+CH3COO]- 326.998591 193.4
[M+Na-2H]- 288.959406 154.9
[M]+ 267.98419142 171.2
[M]- 267.98528858 171.2
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