CID 2774524

3-fluoro-4-iodotoluene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
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

literature stripe

Patent stripe

patents stripe