CID 23391213

Meochbzofcp

Structural Information

Molecular Formula
C21H20FNO3
SMILES
COC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F
InChI
InChI=1S/C21H20FNO3/c1-25-18-9-6-15(7-10-18)14-2-4-16(5-3-14)21(24)26-19-11-8-17(13-23)20(22)12-19/h2-5,8,11-12,15,18H,6-7,9-10H2,1H3
InChIKey
CAMFASHGROANFC-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-(4-methoxycyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

353.14273 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15001 184.1
[M+Na]+ 376.13195 192.4
[M-H]- 352.13545 190.0
[M+NH4]+ 371.17655 195.1
[M+K]+ 392.10589 185.3
[M+H-H2O]+ 336.13999 168.0
[M+HCOO]- 398.14093 198.6
[M+CH3COO]- 412.15658 222.7
[M+Na-2H]- 374.11740 183.0
[M]+ 353.14218 176.8
[M]- 353.14328 176.8
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