CID 10022

1-bromo-4-fluorobutane

Structural Information

Molecular Formula
C4H8BrF
SMILES
C(CCBr)CF
InChI
InChI=1S/C4H8BrF/c5-3-1-2-4-6/h1-4H2
InChIKey
WMCUHRDQSHQNRW-UHFFFAOYSA-N
Compound name
1-bromo-4-fluorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

649
Patents

153.97934 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.986616 124.0
[M+Na]+ 176.968558 135.6
[M-H]- 152.972064 126.1
[M+NH4]+ 172.013163 148.7
[M+K]+ 192.942498 125.8
[M+H-H2O]+ 136.976600 124.6
[M+HCOO]- 198.977541 144.9
[M+CH3COO]- 212.993191 175.3
[M+Na-2H]- 174.954006 132.7
[M]+ 153.97879142 141.8
[M]- 153.97988858 141.8
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