CID 2769351

144977-47-9

Structural Information

Molecular Formula
C17H23F
SMILES
CC1=C(C=CC(=C1)C2=CC(CC(C2)(C)C)(C)C)F
InChI
InChI=1S/C17H23F/c1-12-8-13(6-7-15(12)18)14-9-16(2,3)11-17(4,5)10-14/h6-9H,10-11H2,1-5H3
InChIKey
DGWOCNOIHNULTH-UHFFFAOYSA-N
Compound name
1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

246.17838 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18566 154.0
[M+Na]+ 269.16760 163.2
[M-H]- 245.17110 160.2
[M+NH4]+ 264.21220 176.3
[M+K]+ 285.14154 159.4
[M+H-H2O]+ 229.17564 147.5
[M+HCOO]- 291.17658 173.6
[M+CH3COO]- 305.19223 198.3
[M+Na-2H]- 267.15305 157.6
[M]+ 246.17783 152.5
[M]- 246.17893 152.5
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