CID 16769265

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

Structural Information

Molecular Formula
C10H6F3NO3
SMILES
C1=CC2=C(C=C(N2)C(=O)O)C(=C1)OC(F)(F)F
InChI
InChI=1S/C10H6F3NO3/c11-10(12,13)17-8-3-1-2-6-5(8)4-7(14-6)9(15)16/h1-4,14H,(H,15,16)
InChIKey
NXLKLROWBALFPC-UHFFFAOYSA-N
Compound name
4-(trifluoromethoxy)-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

245.02998 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03726 145.4
[M+Na]+ 268.01920 156.1
[M-H]- 244.02270 143.2
[M+NH4]+ 263.06380 163.2
[M+K]+ 283.99314 152.0
[M+H-H2O]+ 228.02724 137.6
[M+HCOO]- 290.02818 162.5
[M+CH3COO]- 304.04383 185.3
[M+Na-2H]- 266.00465 150.5
[M]+ 245.02943 143.3
[M]- 245.03053 143.3
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