CID 30365

20929-99-1

Structural Information

Molecular Formula
C23H23F2NO2
SMILES
C#CC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)OC(=O)NC3CCCCCC3
InChI
InChI=1S/C23H23F2NO2/c1-2-23(17-9-13-19(24)14-10-17,18-11-15-20(25)16-12-18)28-22(27)26-21-7-5-3-4-6-8-21/h1,9-16,21H,3-8H2,(H,26,27)
InChIKey
IQLOSBYZJUGSKB-UHFFFAOYSA-N
Compound name
1,1-bis(4-fluorophenyl)prop-2-ynyl N-cycloheptylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.16968 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17696 190.8
[M+Na]+ 406.15890 195.5
[M-H]- 382.16240 194.5
[M+NH4]+ 401.20350 199.1
[M+K]+ 422.13284 192.0
[M+H-H2O]+ 366.16694 176.3
[M+HCOO]- 428.16788 200.8
[M+CH3COO]- 442.18353 223.5
[M+Na-2H]- 404.14435 189.5
[M]+ 383.16913 177.0
[M]- 383.17023 177.0
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.