CID 14512147

4chcaa2odfp

Structural Information

Molecular Formula
C19H26F2O3
SMILES
CCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C19H26F2O3/c1-3-5-6-13-7-9-14(10-8-13)19(22)24-16-12-11-15(23-4-2)17(20)18(16)21/h11-14H,3-10H2,1-2H3
InChIKey
ADMNPWFRAQDMIE-UHFFFAOYSA-N
Compound name
(4-ethoxy-2,3-difluorophenyl) 4-butylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

340.185 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19228 181.2
[M+Na]+ 363.17422 186.3
[M-H]- 339.17772 184.2
[M+NH4]+ 358.21882 194.8
[M+K]+ 379.14816 182.6
[M+H-H2O]+ 323.18226 171.4
[M+HCOO]- 385.18320 197.2
[M+CH3COO]- 399.19885 213.5
[M+Na-2H]- 361.15967 178.3
[M]+ 340.18445 180.0
[M]- 340.18555 180.0
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

patents stripe