CID 57472895

1-fluoro-2-(prop-2-yn-1-yl)benzene

Structural Information

Molecular Formula
C9H7F
SMILES
C#CCC1=CC=CC=C1F
InChI
InChI=1S/C9H7F/c1-2-5-8-6-3-4-7-9(8)10/h1,3-4,6-7H,5H2
InChIKey
XWAKVQSVEHWEJO-UHFFFAOYSA-N
Compound name
1-fluoro-2-prop-2-ynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

134.05318 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.060456 123.7
[M+Na]+ 157.042398 134.8
[M-H]- 133.045904 125.0
[M+NH4]+ 152.087003 143.4
[M+K]+ 173.016338 130.5
[M+H-H2O]+ 117.050440 112.0
[M+HCOO]- 179.051381 141.7
[M+CH3COO]- 193.067031 182.6
[M+Na-2H]- 155.027846 130.0
[M]+ 134.05263142 117.1
[M]- 134.05372858 117.1
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