CID 72698800

1504697-79-3

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]+ 216.099456 144.2
[M+Na]+ 238.081398 154.3
[M-H]- 214.084904 142.7
[M+NH4]+ 233.126003 166.2
[M+K]+ 254.055338 149.7
[M+H-H2O]+ 198.089440 136.9
[M+HCOO]- 260.090381 159.8
[M+CH3COO]- 274.106031 184.8
[M+Na-2H]- 236.066846 149.2
[M]+ 215.09163142 138.6
[M]- 215.09272858 138.6
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.