CID 22413775

166883-03-0

Structural Information

Molecular Formula
C10H10FNO
SMILES
CN1C(=O)CCC2=C1C=C(C=C2)F
InChI
InChI=1S/C10H10FNO/c1-12-9-6-8(11)4-2-7(9)3-5-10(12)13/h2,4,6H,3,5H2,1H3
InChIKey
ZHZRLOXSTPINQH-UHFFFAOYSA-N
Compound name
7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

179.07465 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08193 134.4
[M+Na]+ 202.06387 144.0
[M-H]- 178.06737 136.6
[M+NH4]+ 197.10847 154.8
[M+K]+ 218.03781 140.8
[M+H-H2O]+ 162.07191 127.3
[M+HCOO]- 224.07285 153.8
[M+CH3COO]- 238.08850 182.3
[M+Na-2H]- 200.04932 140.7
[M]+ 179.07410 131.9
[M]- 179.07520 131.9
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