CID 4551725

327-20-8

Structural Information

Molecular Formula
C10H6F3NO2
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=C2)C(=O)O
InChI
InChI=1S/C10H6F3NO2/c11-10(12,13)6-2-1-5-3-8(9(15)16)14-7(5)4-6/h1-4,14H,(H,15,16)
InChIKey
CDWGDLKZKCYUFO-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

625
Patents

229.03506 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04234 142.5
[M+Na]+ 252.02428 153.4
[M-H]- 228.02778 140.3
[M+NH4]+ 247.06888 161.1
[M+K]+ 267.99822 148.6
[M+H-H2O]+ 212.03232 134.9
[M+HCOO]- 274.03326 159.4
[M+CH3COO]- 288.04891 183.2
[M+Na-2H]- 250.00973 147.4
[M]+ 229.03451 139.0
[M]- 229.03561 139.0
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

patents stripe