CID 90238

2-(bromomethyl)buta-1,3-diene

Structural Information

Molecular Formula
C5H7Br
SMILES
C=CC(=C)CBr
InChI
InChI=1S/C5H7Br/c1-3-5(2)4-6/h3H,1-2,4H2
InChIKey
KWEFLUDPRLSSTJ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)buta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

145.97311 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.980386 122.1
[M+Na]+ 168.962328 133.6
[M-H]- 144.965834 125.5
[M+NH4]+ 164.006933 146.9
[M+K]+ 184.936268 123.2
[M+H-H2O]+ 128.970370 123.6
[M+HCOO]- 190.971311 143.1
[M+CH3COO]- 204.986961 174.5
[M+Na-2H]- 166.947776 129.8
[M]+ 145.97256142 139.4
[M]- 145.97365858 139.4
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