CID 53418500

5-fluoro-7-(trifluoromethyl)-1h-indole

Structural Information

Molecular Formula
C9H5F4N
SMILES
C1=CNC2=C(C=C(C=C21)F)C(F)(F)F
InChI
InChI=1S/C9H5F4N/c10-6-3-5-1-2-14-8(5)7(4-6)9(11,12)13/h1-4,14H
InChIKey
VQIISDIULGFUPO-UHFFFAOYSA-N
Compound name
5-fluoro-7-(trifluoromethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.03581 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04309 134.6
[M+Na]+ 226.02503 146.7
[M-H]- 202.02853 132.5
[M+NH4]+ 221.06963 155.2
[M+K]+ 241.99897 141.5
[M+H-H2O]+ 186.03307 126.1
[M+HCOO]- 248.03401 152.7
[M+CH3COO]- 262.04966 181.6
[M+Na-2H]- 224.01048 140.9
[M]+ 203.03526 129.8
[M]- 203.03636 129.8
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