CID 57832093

Pebchmedfp

Structural Information

Molecular Formula
C22H30F2
SMILES
C/C=C/C1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C)F)F
InChI
InChI=1S/C22H30F2/c1-3-4-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-5-15(2)21(23)22(20)24/h3-5,14,16-19H,6-13H2,1-2H3/b4-3+
InChIKey
DSNMYHPHAJVXEE-ONEGZZNKSA-N
Compound name
2,3-difluoro-1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

332.23157 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23885 183.7
[M+Na]+ 355.22079 187.2
[M-H]- 331.22429 188.9
[M+NH4]+ 350.26539 197.4
[M+K]+ 371.19473 180.4
[M+H-H2O]+ 315.22883 173.0
[M+HCOO]- 377.22977 196.0
[M+CH3COO]- 391.24542 213.6
[M+Na-2H]- 353.20624 178.7
[M]+ 332.23102 173.1
[M]- 332.23212 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