CID 130140182

1-bromo-4-(1-bromoethyl)-2-fluorobenzene

Structural Information

Molecular Formula
C8H7Br2F
SMILES
CC(C1=CC(=C(C=C1)Br)F)Br
InChI
InChI=1S/C8H7Br2F/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5H,1H3
InChIKey
YRCIQSHTWFPCPI-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-bromoethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

279.88986 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.89714 146.6
[M+Na]+ 302.87908 142.1
[M+NH4]+ 297.92368 148.9
[M+K]+ 318.85302 147.9
[M-H]- 278.88258 147.0
[M+Na-2H]- 300.86453 148.3
[M]+ 279.88931 145.0
[M]- 279.89041 145.0
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