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]+ 155.06668 126.0
[M+Na]+ 177.04862 135.8
[M-H]- 153.05212 127.6
[M+NH4]+ 172.09322 147.7
[M+K]+ 193.02256 132.6
[M+H-H2O]+ 137.05666 119.3
[M+HCOO]- 199.05760 148.8
[M+CH3COO]- 213.07325 178.3
[M+Na-2H]- 175.03407 132.0
[M]+ 154.05885 123.8
[M]- 154.05995 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