CID 122403032

2-(chloromethyl)-1-fluoro-4-iodobenzene

Structural Information

Molecular Formula
C7H5ClFI
SMILES
C1=CC(=C(C=C1I)CCl)F
InChI
InChI=1S/C7H5ClFI/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2
InChIKey
XVPJABNPZBSPIK-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-fluoro-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

269.91086 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.91814 131.4
[M+Na]+ 292.90008 134.9
[M-H]- 268.90358 127.2
[M+NH4]+ 287.94468 148.5
[M+K]+ 308.87402 136.8
[M+H-H2O]+ 252.90812 122.9
[M+HCOO]- 314.90906 146.0
[M+CH3COO]- 328.92471 185.8
[M+Na-2H]- 290.88553 126.2
[M]+ 269.91031 129.7
[M]- 269.91141 129.7
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