CID 57471283

1,4-dibromo-2-fluorobutane

Structural Information

Molecular Formula
C4H7Br2F
SMILES
C(CBr)C(CBr)F
InChI
InChI=1S/C4H7Br2F/c5-2-1-4(7)3-6/h4H,1-3H2
InChIKey
BMCLXWHPEBSQRQ-UHFFFAOYSA-N
Compound name
1,4-dibromo-2-fluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

231.88985 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.89713 131.0
[M+Na]+ 254.87907 141.8
[M-H]- 230.88257 134.3
[M+NH4]+ 249.92367 152.2
[M+K]+ 270.85301 126.7
[M+H-H2O]+ 214.88711 138.8
[M+HCOO]- 276.88805 146.0
[M+CH3COO]- 290.90370 195.2
[M+Na-2H]- 252.86452 138.0
[M]+ 231.88930 163.4
[M]- 231.89040 163.4
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