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]+ 154.98662 124.9
[M+Na]+ 176.96856 136.2
[M-H]- 152.97206 127.0
[M+NH4]+ 172.01316 149.5
[M+K]+ 192.94250 126.8
[M+H-H2O]+ 136.97660 125.4
[M+HCOO]- 198.97754 144.8
[M+CH3COO]- 212.99319 176.0
[M+Na-2H]- 174.95401 132.2
[M]+ 153.97879 141.9
[M]- 153.97989 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.