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

21
Patents

279.88986 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.897136 139.3
[M+Na]+ 302.879078 150.8
[M-H]- 278.882584 145.4
[M+NH4]+ 297.923683 159.3
[M+K]+ 318.853018 135.4
[M+H-H2O]+ 262.887120 147.2
[M+HCOO]- 324.888061 154.6
[M+CH3COO]- 338.903711 202.1
[M+Na-2H]- 300.864526 145.5
[M]+ 279.88931142 172.0
[M]- 279.89040858 172.0
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