CID 21241

4-bromo-1-butene

Structural Information

Molecular Formula
C4H7Br
SMILES
C=CCCBr
InChI
InChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2
InChIKey
DMAYBPBPEUFIHJ-UHFFFAOYSA-N
Compound name
4-bromobut-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

8067
Patents

133.97311 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.980386 118.5
[M+Na]+ 156.962328 130.5
[M-H]- 132.965834 122.0
[M+NH4]+ 152.006933 144.0
[M+K]+ 172.936268 120.6
[M+H-H2O]+ 116.970370 120.2
[M+HCOO]- 178.971311 140.7
[M+CH3COO]- 192.986961 171.8
[M+Na-2H]- 154.947776 128.0
[M]+ 133.97256142 136.8
[M]- 133.97365858 136.8
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