CID 129981608

4-chloro-6-fluoroquinoline-3-carbaldehyde

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

1
Patents

209.00436 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.011636 136.9
[M+Na]+ 231.993578 149.3
[M-H]- 207.997084 139.5
[M+NH4]+ 227.038183 157.0
[M+K]+ 247.967518 143.9
[M+H-H2O]+ 192.001620 130.3
[M+HCOO]- 254.002561 154.5
[M+CH3COO]- 268.018211 185.5
[M+Na-2H]- 229.979026 144.8
[M]+ 209.00381142 139.3
[M]- 209.00490858 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

patents stripe