CID 685191

145657-36-9

Structural Information

Molecular Formula
C14H16FNO
SMILES
CC1(CC(=CC(=O)C1)NC2=CC=CC=C2F)C
InChI
InChI=1S/C14H16FNO/c1-14(2)8-10(7-11(17)9-14)16-13-6-4-3-5-12(13)15/h3-7,16H,8-9H2,1-2H3
InChIKey
NSVGOUMJUPQQKS-UHFFFAOYSA-N
Compound name
3-(2-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

233.1216 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12888 150.5
[M+Na]+ 256.11082 158.4
[M-H]- 232.11432 156.3
[M+NH4]+ 251.15542 170.4
[M+K]+ 272.08476 154.7
[M+H-H2O]+ 216.11886 143.1
[M+HCOO]- 278.11980 172.5
[M+CH3COO]- 292.13545 194.4
[M+Na-2H]- 254.09627 155.4
[M]+ 233.12105 147.2
[M]- 233.12215 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe