CID 2781139

7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C10H10F3N
SMILES
C1CC2=C(C=C(C=C2)C(F)(F)F)NC1
InChI
InChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h3-4,6,14H,1-2,5H2
InChIKey
RGZZKZNESVFQKR-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

201.07654 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08382 140.1
[M+Na]+ 224.06576 147.8
[M-H]- 200.06926 137.6
[M+NH4]+ 219.11036 158.3
[M+K]+ 240.03970 143.2
[M+H-H2O]+ 184.07380 131.5
[M+HCOO]- 246.07474 153.8
[M+CH3COO]- 260.09039 181.5
[M+Na-2H]- 222.05121 146.6
[M]+ 201.07599 131.3
[M]- 201.07709 131.3
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