CID 62735241

2,2,2-trifluoro-n-(1h-indazol-6-yl)acetamide

Structural Information

Molecular Formula
C9H6F3N3O
SMILES
C1=CC2=C(C=C1NC(=O)C(F)(F)F)NN=C2
InChI
InChI=1S/C9H6F3N3O/c10-9(11,12)8(16)14-6-2-1-5-4-13-15-7(5)3-6/h1-4H,(H,13,15)(H,14,16)
InChIKey
POYYEHMJTPOIPF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(1H-indazol-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0463 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05358 142.6
[M+Na]+ 252.03552 152.7
[M-H]- 228.03902 140.1
[M+NH4]+ 247.08012 159.9
[M+K]+ 268.00946 148.2
[M+H-H2O]+ 212.04356 133.4
[M+HCOO]- 274.04450 160.8
[M+CH3COO]- 288.06015 186.5
[M+Na-2H]- 250.02097 149.6
[M]+ 229.04575 138.5
[M]- 229.04685 138.5
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

No patent data available for this compound.