CID 14765982

1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

Structural Information

Molecular Formula
C22H31F3O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)OC(F)F)F
InChI
InChI=1S/C22H31F3O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(23)14-19)26-22(24)25/h12-18,22H,2-11H2,1H3
InChIKey
IFGWCSRLBWEWQP-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

368.2327 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23998 192.2
[M+Na]+ 391.22192 193.9
[M-H]- 367.22542 195.4
[M+NH4]+ 386.26652 203.7
[M+K]+ 407.19586 188.3
[M+H-H2O]+ 351.22996 180.0
[M+HCOO]- 413.23090 202.2
[M+CH3COO]- 427.24655 219.4
[M+Na-2H]- 389.20737 185.9
[M]+ 368.23215 181.6
[M]- 368.23325 181.6
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