CID 14495749

121218-79-9

Structural Information

Molecular Formula
C26H28F2
SMILES
CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCC)F)F
InChI
InChI=1S/C26H28F2/c1-3-5-6-8-20-11-15-22(16-12-20)24-18-17-23(25(27)26(24)28)21-13-9-19(7-4-2)10-14-21/h9-18H,3-8H2,1-2H3
InChIKey
BQPRDSPHXAAJCR-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

378.2159 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.22318 195.2
[M+Na]+ 401.20512 202.6
[M-H]- 377.20862 201.8
[M+NH4]+ 396.24972 207.3
[M+K]+ 417.17906 194.3
[M+H-H2O]+ 361.21316 183.3
[M+HCOO]- 423.21410 214.4
[M+CH3COO]- 437.22975 224.6
[M+Na-2H]- 399.19057 193.9
[M]+ 378.21535 195.3
[M]- 378.21645 195.3
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