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

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 161.2
[M+Na]+ 349.92779 178.0
[M-H]- 325.93129 163.0
[M+NH4]+ 344.97239 180.6
[M+K]+ 365.90173 163.1
[M+H-H2O]+ 309.93583 158.7
[M+HCOO]- 371.93677 174.1
[M+CH3COO]- 385.95242 203.3
[M+Na-2H]- 347.91324 166.6
[M]+ 326.93802 179.3
[M]- 326.93912 179.3
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

patents stripe