CID 43668426

288151-41-7

Structural Information

Molecular Formula
C10H6ClF2N
SMILES
CC1=CC(=C2C(=CC(=CC2=N1)F)F)Cl
InChI
InChI=1S/C10H6ClF2N/c1-5-2-7(11)10-8(13)3-6(12)4-9(10)14-5/h2-4H,1H3
InChIKey
HHNJWXVVSOOSJL-UHFFFAOYSA-N
Compound name
4-chloro-5,7-difluoro-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.01569 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02297 137.3
[M+Na]+ 236.00491 150.4
[M-H]- 212.00841 138.7
[M+NH4]+ 231.04951 157.5
[M+K]+ 251.97885 144.6
[M+H-H2O]+ 196.01295 130.0
[M+HCOO]- 258.01389 153.4
[M+CH3COO]- 272.02954 151.2
[M+Na-2H]- 233.99036 143.8
[M]+ 213.01514 138.2
[M]- 213.01624 138.2
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.