CID 70808438

3dfmet

Structural Information

Molecular Formula
C22H20F2
SMILES
CCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C)F)F
InChI
InChI=1S/C22H20F2/c1-3-4-16-7-11-18(12-8-16)20-14-13-19(21(23)22(20)24)17-9-5-15(2)6-10-17/h5-14H,3-4H2,1-2H3
InChIKey
DPCORLVIKPNWLK-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-(4-methylphenyl)-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

322.15332 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16060 176.5
[M+Na]+ 345.14254 185.8
[M-H]- 321.14604 184.0
[M+NH4]+ 340.18714 191.1
[M+K]+ 361.11648 178.5
[M+H-H2O]+ 305.15058 165.7
[M+HCOO]- 367.15152 197.2
[M+CH3COO]- 381.16717 187.8
[M+Na-2H]- 343.12799 177.6
[M]+ 322.15277 175.4
[M]- 322.15387 175.4
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