CID 72698800

3,3-dimethyl-7-(trifluoromethyl)indoline

Structural Information

Molecular Formula
C11H12F3N
SMILES
CC1(CNC2=C1C=CC=C2C(F)(F)F)C
InChI
InChI=1S/C11H12F3N/c1-10(2)6-15-9-7(10)4-3-5-8(9)11(12,13)14/h3-5,15H,6H2,1-2H3
InChIKey
GDUAIFBBMDMLAS-UHFFFAOYSA-N
Compound name
3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09218 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 149.0
[M+Na]+ 238.08140 157.7
[M+NH4]+ 233.12600 156.6
[M+K]+ 254.05534 152.0
[M-H]- 214.08490 145.6
[M+Na-2H]- 236.06685 152.9
[M]+ 215.09163 149.2
[M]- 215.09273 149.2
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.