CID 125454075

3-methyl-5-(trifluoromethoxy)-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H8F3NO3
SMILES
CC1=C(NC2=C1C=C(C=C2)OC(F)(F)F)C(=O)O
InChI
InChI=1S/C11H8F3NO3/c1-5-7-4-6(18-11(12,13)14)2-3-8(7)15-9(5)10(16)17/h2-4,15H,1H3,(H,16,17)
InChIKey
RRPHIUPZNCEGNX-UHFFFAOYSA-N
Compound name
3-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.04562 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05290 155.5
[M+Na]+ 282.03484 163.9
[M+NH4]+ 277.07944 159.6
[M+K]+ 298.00878 162.0
[M-H]- 258.03834 150.3
[M+Na-2H]- 280.02029 157.2
[M]+ 259.04507 154.8
[M]- 259.04617 154.8
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

No patent data available for this compound.