CID 57861250

2-chloro-5,7-difluoroquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C10H4ClF2NO
SMILES
C1=C(C=C(C2=C1N=C(C(=C2)C=O)Cl)F)F
InChI
InChI=1S/C10H4ClF2NO/c11-10-5(4-15)1-7-8(13)2-6(12)3-9(7)14-10/h1-4H
InChIKey
NHFLCHHJWIUYNO-UHFFFAOYSA-N
Compound name
2-chloro-5,7-difluoroquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

226.99495 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00223 139.2
[M+Na]+ 249.98417 152.6
[M-H]- 225.98767 140.8
[M+NH4]+ 245.02877 158.8
[M+K]+ 265.95811 146.8
[M+H-H2O]+ 209.99221 131.9
[M+HCOO]- 271.99315 155.8
[M+CH3COO]- 286.00880 189.4
[M+Na-2H]- 247.96962 145.8
[M]+ 226.99440 141.0
[M]- 226.99550 141.0
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