CID 45079273

1-ethynyl-2,3-difluorobenzene

Structural Information

Molecular Formula
C8H4F2
SMILES
C#CC1=C(C(=CC=C1)F)F
InChI
InChI=1S/C8H4F2/c1-2-6-4-3-5-7(9)8(6)10/h1,3-5H
InChIKey
JZDQMLSAGGNYAW-UHFFFAOYSA-N
Compound name
1-ethynyl-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

138.0281 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03538 119.7
[M+Na]+ 161.01732 131.9
[M-H]- 137.02082 120.2
[M+NH4]+ 156.06192 139.5
[M+K]+ 176.99126 127.7
[M+H-H2O]+ 121.02536 107.5
[M+HCOO]- 183.02630 137.1
[M+CH3COO]- 197.04195 183.4
[M+Na-2H]- 159.00277 125.5
[M]+ 138.02755 112.0
[M]- 138.02865 112.0
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