CID 53399612

7-fluoro-4-(trifluoromethyl)-1h-indole

Structural Information

Molecular Formula
C9H5F4N
SMILES
C1=CC(=C2C(=C1C(F)(F)F)C=CN2)F
InChI
InChI=1S/C9H5F4N/c10-7-2-1-6(9(11,12)13)5-3-4-14-8(5)7/h1-4,14H
InChIKey
OYBWBUBLJSOWLX-UHFFFAOYSA-N
Compound name
7-fluoro-4-(trifluoromethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

literature stripe

Patent stripe

patents stripe