CID 82394083

7-(trifluoromethyl)-1h-indazole-3-carbaldehyde

Structural Information

Molecular Formula
C9H5F3N2O
SMILES
C1=CC2=C(NN=C2C(=C1)C(F)(F)F)C=O
InChI
InChI=1S/C9H5F3N2O/c10-9(11,12)6-3-1-2-5-7(4-15)13-14-8(5)6/h1-4H,(H,13,14)
InChIKey
HPQMFMLGZCJZFT-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-2H-indazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0354 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.042676 139.3
[M+Na]+ 237.024618 151.5
[M-H]- 213.028124 137.1
[M+NH4]+ 232.069223 157.9
[M+K]+ 252.998558 146.5
[M+H-H2O]+ 197.032660 130.6
[M+HCOO]- 259.033601 157.4
[M+CH3COO]- 273.049251 182.5
[M+Na-2H]- 235.010066 146.1
[M]+ 214.03485142 136.9
[M]- 214.03594858 136.9
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.