CID 69029658

5chmedfb

Structural Information

Molecular Formula
C24H30F2
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C)F)F
InChI
InChI=1S/C24H30F2/c1-3-4-5-6-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-7-17(2)23(25)24(22)26/h7,12-16,18-19H,3-6,8-11H2,1-2H3
InChIKey
BLPSHEMEWWWALM-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

356.23157 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.23885 189.5
[M+Na]+ 379.22079 194.8
[M-H]- 355.22429 195.4
[M+NH4]+ 374.26539 202.4
[M+K]+ 395.19473 187.5
[M+H-H2O]+ 339.22883 178.2
[M+HCOO]- 401.22977 205.2
[M+CH3COO]- 415.24542 219.8
[M+Na-2H]- 377.20624 186.4
[M]+ 356.23102 184.7
[M]- 356.23212 184.7
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