CID 155820281

1-cyclopropyl-3-fluoro-5-iodobenzene

Structural Information

Molecular Formula
C9H8FI
SMILES
C1CC1C2=CC(=CC(=C2)I)F
InChI
InChI=1S/C9H8FI/c10-8-3-7(6-1-2-6)4-9(11)5-8/h3-6H,1-2H2
InChIKey
LLNPNIXRCAXKPL-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-fluoro-5-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.96548 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.97276 131.5
[M+Na]+ 284.95470 135.4
[M-H]- 260.95820 131.4
[M+NH4]+ 279.99930 143.5
[M+K]+ 300.92864 137.9
[M+H-H2O]+ 244.96274 121.2
[M+HCOO]- 306.96368 150.4
[M+CH3COO]- 320.97933 189.5
[M+Na-2H]- 282.94015 126.8
[M]+ 261.96493 129.8
[M]- 261.96603 129.8
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.