CID 13838523

1-bromopenta-1,2-diene

Structural Information

Molecular Formula
C5H7Br
SMILES
CCC=C=CBr
InChI
InChI=1S/C5H7Br/c1-2-3-4-5-6/h3,5H,2H2,1H3
InChIKey
SPCNNRYTKRIZIV-UHFFFAOYSA-N
Compound name
1-bromopenta-1,2-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.97311 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.980386 121.6
[M+Na]+ 168.962328 133.6
[M-H]- 144.965834 125.1
[M+NH4]+ 164.006933 146.8
[M+K]+ 184.936268 122.9
[M+H-H2O]+ 128.970370 123.3
[M+HCOO]- 190.971311 143.7
[M+CH3COO]- 204.986961 172.5
[M+Na-2H]- 166.947776 130.6
[M]+ 145.97256142 139.5
[M]- 145.97365858 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.