CID 16244445

4-(trifluoromethyl)-2,3-dihydro-1h-indole hydrochloride

Structural Information

Molecular Formula
C9H8F3N
SMILES
C1CNC2=CC=CC(=C21)C(F)(F)F
InChI
InChI=1S/C9H8F3N/c10-9(11,12)7-2-1-3-8-6(7)4-5-13-8/h1-3,13H,4-5H2
InChIKey
FOCIDGZBJANSEG-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

187.06088 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.068156 135.3
[M+Na]+ 210.050098 144.3
[M-H]- 186.053604 133.3
[M+NH4]+ 205.094703 156.0
[M+K]+ 226.024038 140.0
[M+H-H2O]+ 170.058140 127.4
[M+HCOO]- 232.059081 151.5
[M+CH3COO]- 246.074731 178.1
[M+Na-2H]- 208.035546 140.8
[M]+ 187.06033142 128.3
[M]- 187.06142858 128.3
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