CID 136313

1-bromo-3,5-difluorobenzene

Structural Information

Molecular Formula
C6H3BrF2
SMILES
C1=C(C=C(C=C1F)Br)F
InChI
InChI=1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey
JHLKSIOJYMGSMB-UHFFFAOYSA-N
Compound name
1-bromo-3,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3886
Patents

191.93861 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.945886 127.5
[M+Na]+ 214.927828 141.3
[M-H]- 190.931334 132.2
[M+NH4]+ 209.972433 151.1
[M+K]+ 230.901768 130.3
[M+H-H2O]+ 174.935870 127.1
[M+HCOO]- 236.936811 148.5
[M+CH3COO]- 250.952461 180.8
[M+Na-2H]- 212.913276 135.7
[M]+ 191.93806142 143.5
[M]- 191.93915858 143.5
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