CID 137243

1-bromo-2-fluorobutane

Structural Information

Molecular Formula
C4H8BrF
SMILES
CCC(CBr)F
InChI
InChI=1S/C4H8BrF/c1-2-4(6)3-5/h4H,2-3H2,1H3
InChIKey
BMJVYLYFMNOKCF-UHFFFAOYSA-N
Compound name
1-bromo-2-fluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

153.97934 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe