CID 202316

10087-77-1

Structural Information

Molecular Formula
C22H21F2NO2
SMILES
C#CC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)OC(=O)NC3CCCCC3
InChI
InChI=1S/C22H21F2NO2/c1-2-22(16-8-12-18(23)13-9-16,17-10-14-19(24)15-11-17)27-21(26)25-20-6-4-3-5-7-20/h1,8-15,20H,3-7H2,(H,25,26)
InChIKey
DGBAMTYZPLYMAR-UHFFFAOYSA-N
Compound name
1,1-bis(4-fluorophenyl)prop-2-ynyl N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15402 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16130 191.5
[M+Na]+ 392.14324 197.9
[M-H]- 368.14674 194.2
[M+NH4]+ 387.18784 200.8
[M+K]+ 408.11718 189.2
[M+H-H2O]+ 352.15128 175.0
[M+HCOO]- 414.15222 201.8
[M+CH3COO]- 428.16787 221.3
[M+Na-2H]- 390.12869 190.6
[M]+ 369.15347 179.3
[M]- 369.15457 179.3
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.