CID 22886806

118164-49-1

Structural Information

Molecular Formula
C15H14F2
SMILES
CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C15H14F2/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16)15(17)10-13/h4-10H,2-3H2,1H3
InChIKey
YFWIAHIWUXKPNB-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

232.10635 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11363 149.1
[M+Na]+ 255.09557 158.4
[M-H]- 231.09907 153.6
[M+NH4]+ 250.14017 167.5
[M+K]+ 271.06951 153.3
[M+H-H2O]+ 215.10361 140.4
[M+HCOO]- 277.10455 171.1
[M+CH3COO]- 291.12020 193.9
[M+Na-2H]- 253.08102 153.4
[M]+ 232.10580 147.5
[M]- 232.10690 147.5
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