CID 232023

4-fluoro-3-iodotoluene

Structural Information

Molecular Formula
C7H6FI
SMILES
CC1=CC(=C(C=C1)F)I
InChI
InChI=1S/C7H6FI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
XJWZEEGCMBQBNG-UHFFFAOYSA-N
Compound name
1-fluoro-2-iodo-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

235.94983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.95711 127.2
[M+Na]+ 258.93905 130.0
[M-H]- 234.94255 123.3
[M+NH4]+ 253.98365 144.8
[M+K]+ 274.91299 133.9
[M+H-H2O]+ 218.94709 118.1
[M+HCOO]- 280.94803 146.1
[M+CH3COO]- 294.96368 182.2
[M+Na-2H]- 256.92450 122.3
[M]+ 235.94928 123.7
[M]- 235.95038 123.7
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