CID 3073067

2-cyclohexen-1-one, 3-((2,3-difluorophenyl)amino)-

Structural Information

Molecular Formula
C12H11F2NO
SMILES
C1CC(=CC(=O)C1)NC2=C(C(=CC=C2)F)F
InChI
InChI=1S/C12H11F2NO/c13-10-5-2-6-11(12(10)14)15-8-3-1-4-9(16)7-8/h2,5-7,15H,1,3-4H2
InChIKey
JFNSFSMATZTYAP-UHFFFAOYSA-N
Compound name
3-(2,3-difluoroanilino)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.08087 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08815 145.0
[M+Na]+ 246.07009 152.7
[M-H]- 222.07359 149.2
[M+NH4]+ 241.11469 163.0
[M+K]+ 262.04403 148.7
[M+H-H2O]+ 206.07813 136.2
[M+HCOO]- 268.07907 166.5
[M+CH3COO]- 282.09472 191.5
[M+Na-2H]- 244.05554 149.1
[M]+ 223.08032 139.4
[M]- 223.08142 139.4
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

patents stripe