CID 10878584

6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C10H10F3NO
SMILES
C1CC2=C(C=CC(=C2)OC(F)(F)F)NC1
InChI
InChI=1S/C10H10F3NO/c11-10(12,13)15-8-3-4-9-7(6-8)2-1-5-14-9/h3-4,6,14H,1-2,5H2
InChIKey
LCGAVGPJGRKTCR-UHFFFAOYSA-N
Compound name
6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

217.07144 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07872 143.4
[M+Na]+ 240.06066 151.0
[M-H]- 216.06416 140.8
[M+NH4]+ 235.10526 160.9
[M+K]+ 256.03460 146.9
[M+H-H2O]+ 200.06870 134.6
[M+HCOO]- 262.06964 157.2
[M+CH3COO]- 276.08529 183.5
[M+Na-2H]- 238.04611 150.0
[M]+ 217.07089 136.0
[M]- 217.07199 136.0
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

patents stripe