CID 12637090

3-bromo-1,1,2,2-tetrafluorocyclobutane

Structural Information

Molecular Formula
C4H3BrF4
SMILES
C1C(C(C1(F)F)(F)F)Br
InChI
InChI=1S/C4H3BrF4/c5-2-1-3(6,7)4(2,8)9/h2H,1H2
InChIKey
DLIXZWDERJNLSV-UHFFFAOYSA-N
Compound name
3-bromo-1,1,2,2-tetrafluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.93542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94270 124.3
[M+Na]+ 228.92464 137.8
[M-H]- 204.92814 127.3
[M+NH4]+ 223.96924 144.9
[M+K]+ 244.89858 130.0
[M+H-H2O]+ 188.93268 121.1
[M+HCOO]- 250.93362 141.2
[M+CH3COO]- 264.94927 185.9
[M+Na-2H]- 226.91009 132.2
[M]+ 205.93487 145.1
[M]- 205.93597 145.1
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.