CID 106701664

3,3-dimethyl-5-(trifluoromethoxy)-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C11H12F3NO
SMILES
CC1(CNC2=C1C=C(C=C2)OC(F)(F)F)C
InChI
InChI=1S/C11H12F3NO/c1-10(2)6-15-9-4-3-7(5-8(9)10)16-11(12,13)14/h3-5,15H,6H2,1-2H3
InChIKey
KUJJTAONWGKXDH-UHFFFAOYSA-N
Compound name
3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0871 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09438 147.5
[M+Na]+ 254.07632 157.6
[M-H]- 230.07982 146.0
[M+NH4]+ 249.12092 168.8
[M+K]+ 270.05026 153.5
[M+H-H2O]+ 214.08436 140.1
[M+HCOO]- 276.08530 163.3
[M+CH3COO]- 290.10095 186.8
[M+Na-2H]- 252.06177 152.6
[M]+ 231.08655 143.4
[M]- 231.08765 143.4
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.