CID 19103580

5ch3dfp

Structural Information

Molecular Formula
C20H30F2
SMILES
CCCCCC1CCC(CC1)C2=C(C(=C(C=C2)CCC)F)F
InChI
InChI=1S/C20H30F2/c1-3-5-6-8-15-9-11-16(12-10-15)18-14-13-17(7-4-2)19(21)20(18)22/h13-16H,3-12H2,1-2H3
InChIKey
PUMYEZAPDMPHMV-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

308.23157 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23885 177.0
[M+Na]+ 331.22079 181.8
[M-H]- 307.22429 179.7
[M+NH4]+ 326.26539 192.3
[M+K]+ 347.19473 176.2
[M+H-H2O]+ 291.22883 167.4
[M+HCOO]- 353.22977 192.8
[M+CH3COO]- 367.24542 211.1
[M+Na-2H]- 329.20624 174.6
[M]+ 308.23102 173.1
[M]- 308.23212 173.1
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