CID 12099179

2-chloro-7-fluoroquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C10H5ClFNO
SMILES
C1=CC(=CC2=NC(=C(C=C21)C=O)Cl)F
InChI
InChI=1S/C10H5ClFNO/c11-10-7(5-14)3-6-1-2-8(12)4-9(6)13-10/h1-5H
InChIKey
CZBARWPAXUPUFB-UHFFFAOYSA-N
Compound name
2-chloro-7-fluoroquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

209.00436 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe