CID 2782794

4-bromo-5-fluoro-2-iodotoluene

Structural Information

Molecular Formula
C7H5BrFI
SMILES
CC1=CC(=C(C=C1I)Br)F
InChI
InChI=1S/C7H5BrFI/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,1H3
InChIKey
ACDTXEFSNCPJED-UHFFFAOYSA-N
Compound name
1-bromo-2-fluoro-5-iodo-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

313.86035 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.86763 143.4
[M+Na]+ 336.84957 141.9
[M+NH4]+ 331.89417 145.3
[M+K]+ 352.82351 143.3
[M-H]- 312.85307 138.5
[M+Na-2H]- 334.83502 136.7
[M]+ 313.85980 139.9
[M]- 313.86090 139.9
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