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]+ 232.094376 147.5
[M+Na]+ 254.076318 157.6
[M-H]- 230.079824 146.0
[M+NH4]+ 249.120923 168.8
[M+K]+ 270.050258 153.5
[M+H-H2O]+ 214.084360 140.1
[M+HCOO]- 276.085301 163.3
[M+CH3COO]- 290.100951 186.8
[M+Na-2H]- 252.061766 152.6
[M]+ 231.08655142 143.4
[M]- 231.08764858 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.