CID 12020436

3-fluoro-5-iodotoluene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
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 131.3
[M+Na]+ 258.93905 137.4
[M+NH4]+ 253.98365 136.3
[M+K]+ 274.91299 133.6
[M-H]- 234.94255 127.0
[M+Na-2H]- 256.92450 126.5
[M]+ 235.94928 129.9
[M]- 235.95038 129.9
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