CID 87721

4-bromo-3,3,4,4-tetrafluoro-1-butene

Structural Information

Molecular Formula
C4H3BrF4
SMILES
C=CC(C(F)(F)Br)(F)F
InChI
InChI=1S/C4H3BrF4/c1-2-3(6,7)4(5,8)9/h2H,1H2
InChIKey
GVCWGFZDSIWLMO-UHFFFAOYSA-N
Compound name
4-bromo-3,3,4,4-tetrafluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2146
Patents

205.93542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94270 135.0
[M+Na]+ 228.92464 147.8
[M-H]- 204.92814 133.8
[M+NH4]+ 223.96924 157.5
[M+K]+ 244.89858 136.7
[M+H-H2O]+ 188.93268 133.8
[M+HCOO]- 250.93362 150.1
[M+CH3COO]- 264.94927 182.9
[M+Na-2H]- 226.91009 142.5
[M]+ 205.93487 147.2
[M]- 205.93597 147.2
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