CID 64192862

247564-69-8

Structural Information

Molecular Formula
C9H4F3NO2
SMILES
C1=C(C2=C(C=C(N2)C(=O)O)C(=C1F)F)F
InChI
InChI=1S/C9H4F3NO2/c10-4-2-5(11)8-3(7(4)12)1-6(13-8)9(14)15/h1-2,13H,(H,14,15)
InChIKey
VJVDGXIPCUHAHO-UHFFFAOYSA-N
Compound name
4,5,7-trifluoro-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.01941 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.02669 144.2
[M+Na]+ 238.00863 154.0
[M+NH4]+ 233.05323 149.3
[M+K]+ 253.98257 151.0
[M-H]- 214.01213 140.1
[M+Na-2H]- 235.99408 146.5
[M]+ 215.01886 144.0
[M]- 215.01996 144.0
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

No patent data available for this compound.