CID 131574450

1-bromo-3-(bromomethyl)-2-chloro-5-fluorobenzene

Structural Information

Molecular Formula
C7H4Br2ClF
SMILES
C1=C(C=C(C(=C1CBr)Cl)Br)F
InChI
InChI=1S/C7H4Br2ClF/c8-3-4-1-5(11)2-6(9)7(4)10/h1-2H,3H2
InChIKey
ATTXQATVXIMQTA-UHFFFAOYSA-N
Compound name
1-bromo-3-(bromomethyl)-2-chloro-5-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.83524 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.84252 138.1
[M+Na]+ 322.82446 151.9
[M-H]- 298.82796 144.5
[M+NH4]+ 317.86906 158.6
[M+K]+ 338.79840 134.6
[M+H-H2O]+ 282.83250 146.8
[M+HCOO]- 344.83344 150.8
[M+CH3COO]- 358.84909 203.0
[M+Na-2H]- 320.80991 145.1
[M]+ 299.83469 172.7
[M]- 299.83579 172.7
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.