CID 12010667

173837-36-0

Structural Information

Molecular Formula
C23H26F4
SMILES
CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)F)F)F
InChI
InChI=1S/C23H26F4/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19(20(24)12-17)18-13-21(25)23(27)22(26)14-18/h10-16H,2-9H2,1H3
InChIKey
DDLBOEVTDZIYCA-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

378.19705 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20433 192.3
[M+Na]+ 401.18627 199.0
[M-H]- 377.18977 195.9
[M+NH4]+ 396.23087 204.4
[M+K]+ 417.16021 191.1
[M+H-H2O]+ 361.19431 179.3
[M+HCOO]- 423.19525 206.0
[M+CH3COO]- 437.21090 223.4
[M+Na-2H]- 399.17172 187.6
[M]+ 378.19650 185.3
[M]- 378.19760 185.3
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