CID 167737536

En300-39926546

Structural Information

Molecular Formula
C11H9F
SMILES
C#C[C@@H]1C[C@H]1C2=CC=C(C=C2)F
InChI
InChI=1S/C11H9F/c1-2-8-7-11(8)9-3-5-10(12)6-4-9/h1,3-6,8,11H,7H2/t8-,11-/m1/s1
InChIKey
UWBSOJDIRGQASE-LDYMZIIASA-N
Compound name
1-[(1R,2R)-2-ethynylcyclopropyl]-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06883 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07611 125.1
[M+Na]+ 183.05805 142.0
[M-H]- 159.06155 131.8
[M+NH4]+ 178.10265 141.5
[M+K]+ 199.03199 134.1
[M+H-H2O]+ 143.06609 115.2
[M+HCOO]- 205.06703 144.9
[M+CH3COO]- 219.08268 190.6
[M+Na-2H]- 181.04350 132.3
[M]+ 160.06828 122.5
[M]- 160.06938 122.5
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

No patent data available for this compound.