CID 12010666

173837-35-9

Structural Information

Molecular Formula
C21H22F4
SMILES
CCCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)F)F)F
InChI
InChI=1S/C21H22F4/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(22)10-15)16-11-19(23)21(25)20(24)12-16/h8-14H,2-7H2,1H3
InChIKey
AYFPNRLYKGMWJN-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

350.16577 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17305 183.0
[M+Na]+ 373.15499 190.7
[M-H]- 349.15849 187.0
[M+NH4]+ 368.19959 196.3
[M+K]+ 389.12893 183.2
[M+H-H2O]+ 333.16303 170.5
[M+HCOO]- 395.16397 197.5
[M+CH3COO]- 409.17962 217.6
[M+Na-2H]- 371.14044 179.5
[M]+ 350.16522 175.4
[M]- 350.16632 175.4
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