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]+ 200.08815 139.7
[M+Na]+ 222.07009 146.3
[M-H]- 198.07359 138.2
[M+NH4]+ 217.11469 157.6
[M+K]+ 238.04403 142.7
[M+H-H2O]+ 182.07813 131.2
[M+HCOO]- 244.07907 155.1
[M+CH3COO]- 258.09472 181.9
[M+Na-2H]- 220.05554 145.0
[M]+ 199.08032 133.4
[M]- 199.08142 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.