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

17
Patents

245.02998 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.037256 145.4
[M+Na]+ 268.019198 156.1
[M-H]- 244.022704 143.2
[M+NH4]+ 263.063803 163.2
[M+K]+ 283.993138 152.0
[M+H-H2O]+ 228.027240 137.6
[M+HCOO]- 290.028181 162.5
[M+CH3COO]- 304.043831 185.3
[M+Na-2H]- 266.004646 150.5
[M]+ 245.02943142 143.3
[M]- 245.03052858 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