CID 23391226

5ochbzofp

Structural Information

Molecular Formula
C24H29FO3
SMILES
CCCCCOC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)F
InChI
InChI=1S/C24H29FO3/c1-2-3-4-17-27-22-13-9-19(10-14-22)18-5-7-20(8-6-18)24(26)28-23-15-11-21(25)12-16-23/h5-8,11-12,15-16,19,22H,2-4,9-10,13-14,17H2,1H3
InChIKey
JZNUDSDKDBKJIP-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 4-(4-pentoxycyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

384.21008 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21736 195.5
[M+Na]+ 407.19930 198.4
[M-H]- 383.20280 202.1
[M+NH4]+ 402.24390 206.3
[M+K]+ 423.17324 193.5
[M+H-H2O]+ 367.20734 184.3
[M+HCOO]- 429.20828 212.0
[M+CH3COO]- 443.22393 220.3
[M+Na-2H]- 405.18475 193.4
[M]+ 384.20953 193.8
[M]- 384.21063 193.8
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