CID 56965597

1365988-04-0

Structural Information

Molecular Formula
C9H8F3N
SMILES
C1C(NC2=CC=CC=C21)C(F)(F)F
InChI
InChI=1S/C9H8F3N/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-4,8,13H,5H2
InChIKey
ZBCLMTMXGXNCIR-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.06088 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06816 135.3
[M+Na]+ 210.05010 144.3
[M-H]- 186.05360 133.3
[M+NH4]+ 205.09470 156.0
[M+K]+ 226.02404 140.0
[M+H-H2O]+ 170.05814 127.4
[M+HCOO]- 232.05908 151.5
[M+CH3COO]- 246.07473 178.1
[M+Na-2H]- 208.03555 140.8
[M]+ 187.06033 128.3
[M]- 187.06143 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

No patent data available for this compound.