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

81
Patents

183.08595 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09323 136.4
[M+Na]+ 206.07517 143.2
[M-H]- 182.07867 135.0
[M+NH4]+ 201.11977 155.1
[M+K]+ 222.04911 139.1
[M+H-H2O]+ 166.08321 128.2
[M+HCOO]- 228.08415 151.7
[M+CH3COO]- 242.09980 179.9
[M+Na-2H]- 204.06062 141.8
[M]+ 183.08540 128.7
[M]- 183.08650 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