CID 24722023

3-(2,4-difluorophenyl)-1-propene

Structural Information

Molecular Formula
C9H8F2
SMILES
C=CCC1=C(C=C(C=C1)F)F
InChI
InChI=1S/C9H8F2/c1-2-3-7-4-5-8(10)6-9(7)11/h2,4-6H,1,3H2
InChIKey
UOJLVZAZFAUJGI-UHFFFAOYSA-N
Compound name
2,4-difluoro-1-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

154.0594 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.066676 126.0
[M+Na]+ 177.048618 135.8
[M-H]- 153.052124 127.6
[M+NH4]+ 172.093223 147.7
[M+K]+ 193.022558 132.6
[M+H-H2O]+ 137.056660 119.3
[M+HCOO]- 199.057601 148.8
[M+CH3COO]- 213.073251 178.3
[M+Na-2H]- 175.034066 132.0
[M]+ 154.05885142 123.8
[M]- 154.05994858 123.8
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