CID 75355931

1-bromo-3-(2-bromoethoxy)-5-fluorobenzene

Structural Information

Molecular Formula
C8H7Br2FO
SMILES
C1=C(C=C(C=C1F)Br)OCCBr
InChI
InChI=1S/C8H7Br2FO/c9-1-2-12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H2
InChIKey
JRBUQOPWQQLQPD-UHFFFAOYSA-N
Compound name
1-bromo-3-(2-bromoethoxy)-5-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.88477 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.892046 140.4
[M+Na]+ 318.873988 151.9
[M-H]- 294.877494 146.3
[M+NH4]+ 313.918593 159.9
[M+K]+ 334.847928 136.6
[M+H-H2O]+ 278.882030 148.0
[M+HCOO]- 340.882971 156.5
[M+CH3COO]- 354.898621 203.0
[M+Na-2H]- 316.859436 147.6
[M]+ 295.88422142 174.6
[M]- 295.88531858 174.6
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.