CID 13698349

(3r)-1-bromo-3-fluorobutane

Structural Information

Molecular Formula
C4H8BrF
SMILES
C[C@H](CCBr)F
InChI
InChI=1S/C4H8BrF/c1-4(6)2-3-5/h4H,2-3H2,1H3/t4-/m1/s1
InChIKey
ICOSIIBKPOCTDV-SCSAIBSYSA-N
Compound name
(3R)-1-bromo-3-fluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.97934 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.986616 124.9
[M+Na]+ 176.968558 136.2
[M-H]- 152.972064 127.0
[M+NH4]+ 172.013163 149.5
[M+K]+ 192.942498 126.8
[M+H-H2O]+ 136.976600 125.4
[M+HCOO]- 198.977541 144.8
[M+CH3COO]- 212.993191 176.0
[M+Na-2H]- 174.954006 132.2
[M]+ 153.97879142 141.9
[M]- 153.97988858 141.9
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.