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]+ 216.09946 144.2
[M+Na]+ 238.08140 154.3
[M-H]- 214.08490 142.7
[M+NH4]+ 233.12600 166.2
[M+K]+ 254.05534 149.7
[M+H-H2O]+ 198.08944 136.9
[M+HCOO]- 260.09038 159.8
[M+CH3COO]- 274.10603 184.8
[M+Na-2H]- 236.06685 149.2
[M]+ 215.09163 138.6
[M]- 215.09273 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.