CID 45790518

4-(difluoromethyl)quinoline

Structural Information

Molecular Formula
C10H7F2N
SMILES
C1=CC=C2C(=C1)C(=CC=N2)C(F)F
InChI
InChI=1S/C10H7F2N/c11-10(12)8-5-6-13-9-4-2-1-3-7(8)9/h1-6,10H
InChIKey
XZMKLTOLYFIMES-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

179.05466 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06194 132.5
[M+Na]+ 202.04388 141.8
[M-H]- 178.04738 133.3
[M+NH4]+ 197.08848 152.3
[M+K]+ 218.01782 138.2
[M+H-H2O]+ 162.05192 124.1
[M+HCOO]- 224.05286 152.3
[M+CH3COO]- 238.06851 145.6
[M+Na-2H]- 200.02933 140.5
[M]+ 179.05411 129.6
[M]- 179.05521 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe