CID 84658963

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

Structural Information

Molecular Formula
C10H11F2N
SMILES
C1CC2=C(C=C(C=C2)C(F)F)NC1
InChI
InChI=1S/C10H11F2N/c11-10(12)8-4-3-7-2-1-5-13-9(7)6-8/h3-4,6,10,13H,1-2,5H2
InChIKey
PGOLXTGHMFUFNX-UHFFFAOYSA-N
Compound name
7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

183.08595 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.093226 136.4
[M+Na]+ 206.075168 143.2
[M-H]- 182.078674 135.0
[M+NH4]+ 201.119773 155.1
[M+K]+ 222.049108 139.1
[M+H-H2O]+ 166.083210 128.2
[M+HCOO]- 228.084151 151.7
[M+CH3COO]- 242.099801 179.9
[M+Na-2H]- 204.060616 141.8
[M]+ 183.08540142 128.7
[M]- 183.08649858 128.7
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