CID 137004

1,4-dibromo-2-fluorobenzene

Structural Information

Molecular Formula
C6H3Br2F
SMILES
C1=CC(=C(C=C1Br)F)Br
InChI
InChI=1S/C6H3Br2F/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
WNSNPGHNIJOOPM-UHFFFAOYSA-N
Compound name
1,4-dibromo-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

559
Patents

251.85855 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.86583 129.7
[M+Na]+ 274.84777 142.1
[M-H]- 250.85127 136.0
[M+NH4]+ 269.89237 150.7
[M+K]+ 290.82171 126.9
[M+H-H2O]+ 234.85581 138.0
[M+HCOO]- 296.85675 146.3
[M+CH3COO]- 310.87240 197.0
[M+Na-2H]- 272.83322 138.0
[M]+ 251.85800 162.4
[M]- 251.85910 162.4
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