CID 58336283

2-chloro-3-(difluoromethyl)quinoline

Structural Information

Molecular Formula
C10H6ClF2N
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(F)F
InChI
InChI=1S/C10H6ClF2N/c11-9-7(10(12)13)5-6-3-1-2-4-8(6)14-9/h1-5,10H
InChIKey
HDIMNLCODJNJNI-UHFFFAOYSA-N
Compound name
2-chloro-3-(difluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

213.01569 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02297 137.3
[M+Na]+ 236.00491 148.3
[M-H]- 212.00841 138.1
[M+NH4]+ 231.04951 156.9
[M+K]+ 251.97885 142.9
[M+H-H2O]+ 196.01295 129.7
[M+HCOO]- 258.01389 152.5
[M+CH3COO]- 272.02954 150.4
[M+Na-2H]- 233.99036 144.2
[M]+ 213.01514 137.0
[M]- 213.01624 137.0
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