CID 11021288

1-fluoro-2-(2-iodoethyl)benzene

Structural Information

Molecular Formula
C8H8FI
SMILES
C1=CC=C(C(=C1)CCI)F
InChI
InChI=1S/C8H8FI/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6H2
InChIKey
DTVSVMHVPOMAQZ-UHFFFAOYSA-N
Compound name
1-fluoro-2-(2-iodoethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

249.96548 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.97276 133.7
[M+Na]+ 272.95470 135.1
[M-H]- 248.95820 129.1
[M+NH4]+ 267.99930 150.4
[M+K]+ 288.92864 138.7
[M+H-H2O]+ 232.96274 124.0
[M+HCOO]- 294.96368 152.1
[M+CH3COO]- 308.97933 184.0
[M+Na-2H]- 270.94015 128.7
[M]+ 249.96493 130.1
[M]- 249.96603 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe