CID 131331850

1-bromo-5-(chloromethyl)-2-fluoro-3-iodobenzene

Structural Information

Molecular Formula
C7H4BrClFI
SMILES
C1=C(C=C(C(=C1Br)F)I)CCl
InChI
InChI=1S/C7H4BrClFI/c8-5-1-4(3-9)2-6(11)7(5)10/h1-2H,3H2
InChIKey
XKRKONLQWZQPNW-UHFFFAOYSA-N
Compound name
1-bromo-5-(chloromethyl)-2-fluoro-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.82138 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.82866 142.2
[M+Na]+ 370.81060 150.1
[M-H]- 346.81410 141.3
[M+NH4]+ 365.85520 160.2
[M+K]+ 386.78454 143.0
[M+H-H2O]+ 330.81864 139.5
[M+HCOO]- 392.81958 154.8
[M+CH3COO]- 406.83523 196.2
[M+Na-2H]- 368.79605 138.0
[M]+ 347.82083 158.4
[M]- 347.82193 158.4
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

No patent data available for this compound.