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

33
Patents

134.05318 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06046 123.7
[M+Na]+ 157.04240 134.8
[M-H]- 133.04590 125.0
[M+NH4]+ 152.08700 143.4
[M+K]+ 173.01634 130.5
[M+H-H2O]+ 117.05044 112.0
[M+HCOO]- 179.05138 141.7
[M+CH3COO]- 193.06703 182.6
[M+Na-2H]- 155.02785 130.0
[M]+ 134.05263 117.1
[M]- 134.05373 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