CID 165597912

2-chloro-7-fluoroquinoline-4-carbonylchloride

Structural Information

Molecular Formula
C10H4Cl2FNO
SMILES
C1=CC2=C(C=C1F)N=C(C=C2C(=O)Cl)Cl
InChI
InChI=1S/C10H4Cl2FNO/c11-9-4-7(10(12)15)6-2-1-5(13)3-8(6)14-9/h1-4H
InChIKey
RMABPLSGQZCFBH-UHFFFAOYSA-N
Compound name
2-chloro-7-fluoroquinoline-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.9654 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.97268 141.7
[M+Na]+ 265.95462 154.0
[M-H]- 241.95812 143.5
[M+NH4]+ 260.99922 160.6
[M+K]+ 281.92856 147.9
[M+H-H2O]+ 225.96266 135.8
[M+HCOO]- 287.96360 153.2
[M+CH3COO]- 301.97925 190.9
[M+Na-2H]- 263.94007 147.6
[M]+ 242.96485 144.7
[M]- 242.96595 144.7
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.