CID 19354429

3-(trifluoromethyl)-1h-indazol-5-amine

Structural Information

Molecular Formula
C8H6F3N3
SMILES
C1=CC2=NNC(=C2C=C1N)C(F)(F)F
InChI
InChI=1S/C8H6F3N3/c9-8(10,11)7-5-3-4(12)1-2-6(5)13-14-7/h1-3H,12H2,(H,13,14)
InChIKey
HTFVEDPYBMUSPJ-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-2H-indazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

201.05138 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.058656 136.2
[M+Na]+ 224.040598 147.8
[M-H]- 200.044104 133.6
[M+NH4]+ 219.085203 154.9
[M+K]+ 240.014538 142.7
[M+H-H2O]+ 184.048640 127.5
[M+HCOO]- 246.049581 154.7
[M+CH3COO]- 260.065231 182.6
[M+Na-2H]- 222.026046 143.1
[M]+ 201.05083142 131.1
[M]- 201.05192858 131.1
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