CID 44891175

1-bromo-3-chloro-5-fluoro-2-iodobenzene

Structural Information

Molecular Formula
C6H2BrClFI
SMILES
C1=C(C=C(C(=C1Cl)I)Br)F
InChI
InChI=1S/C6H2BrClFI/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
InChIKey
NZPDPJBTIWKLDN-UHFFFAOYSA-N
Compound name
1-bromo-3-chloro-5-fluoro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

333.80573 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.81301 137.2
[M+Na]+ 356.79495 145.5
[M-H]- 332.79845 136.5
[M+NH4]+ 351.83955 155.7
[M+K]+ 372.76889 138.6
[M+H-H2O]+ 316.80299 134.7
[M+HCOO]- 378.80393 150.2
[M+CH3COO]- 392.81958 193.5
[M+Na-2H]- 354.78040 133.6
[M]+ 333.80518 153.1
[M]- 333.80628 153.1
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