CID 88732

20930-00-1

Structural Information

Molecular Formula
C24H25F2NO2
SMILES
C#CC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)OC(=O)NC3CCCCCCC3
InChI
InChI=1S/C24H25F2NO2/c1-2-24(18-10-14-20(25)15-11-18,19-12-16-21(26)17-13-19)29-23(28)27-22-8-6-4-3-5-7-9-22/h1,10-17,22H,3-9H2,(H,27,28)
InChIKey
UNBXFNVXTHLLNJ-UHFFFAOYSA-N
Compound name
1,1-bis(4-fluorophenyl)prop-2-ynyl N-cyclooctylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.18533 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19261 172.2
[M+Na]+ 420.17455 176.2
[M-H]- 396.17805 173.5
[M+NH4]+ 415.21915 176.1
[M+K]+ 436.14849 173.1
[M+H-H2O]+ 380.18259 164.0
[M+HCOO]- 442.18353 176.4
[M+CH3COO]- 456.19918 240.9
[M+Na-2H]- 418.16000 169.6
[M]+ 397.18478 166.6
[M]- 397.18588 166.6
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.