CID 24265286

3-(chloromethyl)-7-fluoro-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula
C10H7ClFNO
SMILES
C1=CC2=C(C=C1F)NC(=O)C(=C2)CCl
InChI
InChI=1S/C10H7ClFNO/c11-5-7-3-6-1-2-8(12)4-9(6)13-10(7)14/h1-4H,5H2,(H,13,14)
InChIKey
XNEGKNQJIHNAGK-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-7-fluoro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.02002 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.02730 137.7
[M+Na]+ 234.00924 149.7
[M-H]- 210.01274 138.9
[M+NH4]+ 229.05384 157.1
[M+K]+ 249.98318 143.4
[M+H-H2O]+ 194.01728 131.5
[M+HCOO]- 256.01822 153.8
[M+CH3COO]- 270.03387 151.1
[M+Na-2H]- 231.99469 145.1
[M]+ 211.01947 138.4
[M]- 211.02057 138.4
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.