CID 134262960

2189684-52-2

Structural Information

Molecular Formula

C₉H₆BrClF₃N₃

SMILES

C1=CC(=C2C(=C1Cl)C(=NN2CC(F)(F)F)N)Br

InChI

InChI=1S/C9H6BrClF3N3/c10-4-1-2-5(11)6-7(4)17(16-8(6)15)3-9(12,13)14/h1-2H,3H2,(H2,15,16)

InChIKey

WSUZWTPRZQLWHI-UHFFFAOYSA-N

Compound name

7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 326.93857 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	327.945846	161.2
[M+Na]+	349.927788	178.0
[M-H]-	325.931294	163.0
[M+NH4]+	344.972393	180.6
[M+K]+	365.901728	163.1
[M+H-H2O]+	309.935830	158.7
[M+HCOO]-	371.936771	174.1
[M+CH3COO]-	385.952421	203.3
[M+Na-2H]-	347.913236	166.6
[M]+	326.93802142	179.3
[M]-	326.93911858	179.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe