CID 21351041

4ochcaafch

Structural Information

Molecular Formula
C17H29FO3
SMILES
CCCCOC1CCC(CC1)C(=O)OC2CCC(CC2)F
InChI
InChI=1S/C17H29FO3/c1-2-3-12-20-15-8-4-13(5-9-15)17(19)21-16-10-6-14(18)7-11-16/h13-16H,2-12H2,1H3
InChIKey
WPSWFGFFDSPLAZ-UHFFFAOYSA-N
Compound name
(4-fluorocyclohexyl) 4-butoxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.21008 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21736 174.6
[M+Na]+ 323.19930 175.4
[M-H]- 299.20280 177.4
[M+NH4]+ 318.24390 189.0
[M+K]+ 339.17324 173.2
[M+H-H2O]+ 283.20734 165.8
[M+HCOO]- 345.20828 187.9
[M+CH3COO]- 359.22393 203.7
[M+Na-2H]- 321.18475 171.7
[M]+ 300.20953 168.6
[M]- 300.21063 168.6
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

patents stripe