CID 58557207

3-bromo-1,1-difluorocyclobutane

Structural Information

Molecular Formula
C4H5BrF2
SMILES
C1C(CC1(F)F)Br
InChI
InChI=1S/C4H5BrF2/c5-3-1-4(6,7)2-3/h3H,1-2H2
InChIKey
YBDREFHEOWCFLV-UHFFFAOYSA-N
Compound name
3-bromo-1,1-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

169.95427 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.961546 117.5
[M+Na]+ 192.943488 129.3
[M-H]- 168.946994 122.2
[M+NH4]+ 187.988093 137.5
[M+K]+ 208.917428 122.3
[M+H-H2O]+ 152.951530 114.4
[M+HCOO]- 214.952471 136.3
[M+CH3COO]- 228.968121 179.9
[M+Na-2H]- 190.928936 126.3
[M]+ 169.95372142 140.0
[M]- 169.95481858 140.0
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