CID 155943769

1-bromo-3-fluorocyclobutane

Structural Information

Molecular Formula
C4H6BrF
SMILES
C1C(CC1Br)F
InChI
InChI=1S/C4H6BrF/c5-3-1-4(6)2-3/h3-4H,1-2H2
InChIKey
XJSMTQICBYPLEJ-UHFFFAOYSA-N
Compound name
1-bromo-3-fluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.96368 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.97096 113.6
[M+Na]+ 174.95290 124.6
[M-H]- 150.95640 119.1
[M+NH4]+ 169.99750 132.5
[M+K]+ 190.92684 118.0
[M+H-H2O]+ 134.96094 110.0
[M+HCOO]- 196.96188 133.4
[M+CH3COO]- 210.97753 177.8
[M+Na-2H]- 172.93835 122.1
[M]+ 151.96313 136.8
[M]- 151.96423 136.8
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.