CID 119096343

1-(bromomethyl)-1-fluorocyclobutane

Structural Information

Molecular Formula
C5H8BrF
SMILES
C1CC(C1)(CBr)F
InChI
InChI=1S/C5H8BrF/c6-4-5(7)2-1-3-5/h1-4H2
InChIKey
QUODLGVTEHWUIN-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-fluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

165.97934 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.98662 118.6
[M+Na]+ 188.96856 129.2
[M-H]- 164.97206 124.1
[M+NH4]+ 184.01316 138.6
[M+K]+ 204.94250 122.4
[M+H-H2O]+ 148.97660 116.0
[M+HCOO]- 210.97754 138.1
[M+CH3COO]- 224.99319 179.2
[M+Na-2H]- 186.95401 128.2
[M]+ 165.97879 142.3
[M]- 165.97989 142.3
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