CID 20352892

1-ethyl-3,5-difluorobenzene

Structural Information

Molecular Formula
C8H8F2
SMILES
CCC1=CC(=CC(=C1)F)F
InChI
InChI=1S/C8H8F2/c1-2-6-3-7(9)5-8(10)4-6/h3-5H,2H2,1H3
InChIKey
PFINYKRPUJCMCT-UHFFFAOYSA-N
Compound name
1-ethyl-3,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

935
Patents

142.0594 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06668 122.8
[M+Na]+ 165.04862 132.7
[M-H]- 141.05212 124.6
[M+NH4]+ 160.09322 145.0
[M+K]+ 181.02256 130.3
[M+H-H2O]+ 125.05666 116.2
[M+HCOO]- 187.05760 145.6
[M+CH3COO]- 201.07325 176.2
[M+Na-2H]- 163.03407 129.3
[M]+ 142.05885 120.8
[M]- 142.05995 120.8
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