CID 115075190

5-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C10H11F2NO
SMILES
C1CC2=C(C=CC=C2OC(F)F)NC1
InChI
InChI=1S/C10H11F2NO/c11-10(12)14-9-5-1-4-8-7(9)3-2-6-13-8/h1,4-5,10,13H,2-3,6H2
InChIKey
JVJBZOXXDGSOEH-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08087 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.088146 139.7
[M+Na]+ 222.070088 146.3
[M-H]- 198.073594 138.2
[M+NH4]+ 217.114693 157.6
[M+K]+ 238.044028 142.7
[M+H-H2O]+ 182.078130 131.2
[M+HCOO]- 244.079071 155.1
[M+CH3COO]- 258.094721 181.9
[M+Na-2H]- 220.055536 145.0
[M]+ 199.08032142 133.4
[M]- 199.08141858 133.4
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

No patent data available for this compound.