CID 16228300

6-(trifluoromethoxy)-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H6F3NO3
SMILES
C1=CC2=C(C=C1OC(F)(F)F)NC(=C2)C(=O)O
InChI
InChI=1S/C10H6F3NO3/c11-10(12,13)17-6-2-1-5-3-8(9(15)16)14-7(5)4-6/h1-4,14H,(H,15,16)
InChIKey
FOJBKFGWDZMUCC-UHFFFAOYSA-N
Compound name
6-(trifluoromethoxy)-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

245.02998 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03726 150.6
[M+Na]+ 268.01920 158.8
[M+NH4]+ 263.06380 154.8
[M+K]+ 283.99314 157.0
[M-H]- 244.02270 145.4
[M+Na-2H]- 266.00465 152.8
[M]+ 245.02943 149.8
[M]- 245.03053 149.8
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