CID 21464597

3chbzodfp

Structural Information

Molecular Formula
C22H24F2O2
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)F)F
InChI
InChI=1S/C22H24F2O2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(25)26-19-12-13-20(23)21(24)14-19/h8-16H,2-7H2,1H3
InChIKey
IQLRFJMGWZXTJA-UHFFFAOYSA-N
Compound name
(3,4-difluorophenyl) 4-(4-propylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

358.17444 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18172 186.5
[M+Na]+ 381.16366 191.6
[M-H]- 357.16716 192.5
[M+NH4]+ 376.20826 198.8
[M+K]+ 397.13760 186.0
[M+H-H2O]+ 341.17170 175.2
[M+HCOO]- 403.17264 202.5
[M+CH3COO]- 417.18829 216.3
[M+Na-2H]- 379.14911 184.2
[M]+ 358.17389 182.1
[M]- 358.17499 182.1
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