CID 11109026

1,5-dibromo-2,3,4-trifluorobenzene

Structural Information

Molecular Formula
C6HBr2F3
SMILES
C1=C(C(=C(C(=C1Br)F)F)F)Br
InChI
InChI=1S/C6HBr2F3/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey
MJKUGTVPMSPTJV-UHFFFAOYSA-N
Compound name
1,5-dibromo-2,3,4-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

287.83972 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.84700 137.4
[M+Na]+ 310.82894 151.0
[M-H]- 286.83244 142.0
[M+NH4]+ 305.87354 157.4
[M+K]+ 326.80288 135.0
[M+H-H2O]+ 270.83698 144.1
[M+HCOO]- 332.83792 152.2
[M+CH3COO]- 346.85357 202.9
[M+Na-2H]- 308.81439 143.1
[M]+ 287.83917 168.4
[M]- 287.84027 168.4
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