CID 165792830

1-cyclopropoxy-2-fluoro-3-iodobenzene

Structural Information

Molecular Formula
C9H8FIO
SMILES
C1CC1OC2=C(C(=CC=C2)I)F
InChI
InChI=1S/C9H8FIO/c10-9-7(11)2-1-3-8(9)12-6-4-5-6/h1-3,6H,4-5H2
InChIKey
TVKALHLQLWQVLP-UHFFFAOYSA-N
Compound name
1-cyclopropyloxy-2-fluoro-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9604 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.96768 136.9
[M+Na]+ 300.94962 140.7
[M-H]- 276.95312 136.7
[M+NH4]+ 295.99422 148.3
[M+K]+ 316.92356 143.5
[M+H-H2O]+ 260.95766 126.4
[M+HCOO]- 322.95860 155.9
[M+CH3COO]- 336.97425 191.3
[M+Na-2H]- 298.93507 132.0
[M]+ 277.95985 136.5
[M]- 277.96095 136.5
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.