CID 70678306

1415022-32-0

Structural Information

Molecular Formula
C7H4BrFO2
SMILES
C1OC2=C(O1)C(=CC(=C2)Br)F
InChI
InChI=1S/C7H4BrFO2/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-2H,3H2
InChIKey
JSFYSJIUIPMTEH-UHFFFAOYSA-N
Compound name
6-bromo-4-fluoro-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

217.93787 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.945146 137.7
[M+Na]+ 240.927088 151.3
[M-H]- 216.930594 145.4
[M+NH4]+ 235.971693 160.4
[M+K]+ 256.901028 143.4
[M+H-H2O]+ 200.935130 138.6
[M+HCOO]- 262.936071 157.3
[M+CH3COO]- 276.951721 154.2
[M+Na-2H]- 238.912536 146.8
[M]+ 217.93732142 157.3
[M]- 217.93841858 157.3
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