CID 85873349

612543-60-9

Structural Information

Molecular Formula
C24H23F3O
SMILES
CCCCOC1=C(C(=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CC)F)F)F
InChI
InChI=1S/C24H23F3O/c1-3-5-14-28-22-13-12-20(23(26)24(22)27)18-10-11-19(21(25)15-18)17-8-6-16(4-2)7-9-17/h6-13,15H,3-5,14H2,1-2H3
InChIKey
JNPPGKJJYSGOMU-UHFFFAOYSA-N
Compound name
1-butoxy-4-[4-(4-ethylphenyl)-3-fluorophenyl]-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

384.1701 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17738 193.3
[M+Na]+ 407.15932 202.5
[M-H]- 383.16282 199.3
[M+NH4]+ 402.20392 205.3
[M+K]+ 423.13326 194.9
[M+H-H2O]+ 367.16736 180.7
[M+HCOO]- 429.16830 212.2
[M+CH3COO]- 443.18395 224.6
[M+Na-2H]- 405.14477 191.7
[M]+ 384.16955 193.5
[M]- 384.17065 193.5
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