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

8157
Patents

133.97311 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.98039 118.5
[M+Na]+ 156.96233 130.5
[M-H]- 132.96583 122.0
[M+NH4]+ 152.00693 144.0
[M+K]+ 172.93627 120.6
[M+H-H2O]+ 116.97037 120.2
[M+HCOO]- 178.97131 140.7
[M+CH3COO]- 192.98696 171.8
[M+Na-2H]- 154.94778 128.0
[M]+ 133.97256 136.8
[M]- 133.97366 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