CID 2757597

121626-73-1

Structural Information

Molecular Formula
C9H8ClF
SMILES
C=CCC1=CC(=C(C=C1)F)Cl
InChI
InChI=1S/C9H8ClF/c1-2-3-7-4-5-9(11)8(10)6-7/h2,4-6H,1,3H2
InChIKey
LUVULFUQRHJDGP-UHFFFAOYSA-N
Compound name
2-chloro-1-fluoro-4-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

170.02986 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03714 129.4
[M+Na]+ 193.01908 139.9
[M-H]- 169.02258 132.1
[M+NH4]+ 188.06368 151.3
[M+K]+ 208.99302 135.1
[M+H-H2O]+ 153.02712 124.4
[M+HCOO]- 215.02806 148.6
[M+CH3COO]- 229.04371 179.4
[M+Na-2H]- 191.00453 135.5
[M]+ 170.02931 130.3
[M]- 170.03041 130.3
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