CID 129981608

4-chloro-6-fluoroquinoline-3-carboxaldehyde

Structural Information

Molecular Formula
C10H5ClFNO
SMILES
C1=CC2=NC=C(C(=C2C=C1F)Cl)C=O
InChI
InChI=1S/C10H5ClFNO/c11-10-6(5-14)4-13-9-2-1-7(12)3-8(9)10/h1-5H
InChIKey
JYRSGXBOJNBSBY-UHFFFAOYSA-N
Compound name
4-chloro-6-fluoroquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.00436 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01164 136.9
[M+Na]+ 231.99358 149.3
[M-H]- 207.99708 139.5
[M+NH4]+ 227.03818 157.0
[M+K]+ 247.96752 143.9
[M+H-H2O]+ 192.00162 130.3
[M+HCOO]- 254.00256 154.5
[M+CH3COO]- 268.01821 185.5
[M+Na-2H]- 229.97903 144.8
[M]+ 209.00381 139.3
[M]- 209.00491 139.3
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.