CID 134262960

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

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

209
Patents

326.93857 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.94585 167.9
[M+Na]+ 349.92779 169.9
[M+NH4]+ 344.97239 170.3
[M+K]+ 365.90173 170.6
[M-H]- 325.93129 163.9
[M+Na-2H]- 347.91324 168.0
[M]+ 326.93802 166.0
[M]- 326.93912 166.0
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