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]+ 146.98039 121.6
[M+Na]+ 168.96233 133.6
[M-H]- 144.96583 125.1
[M+NH4]+ 164.00693 146.8
[M+K]+ 184.93627 122.9
[M+H-H2O]+ 128.97037 123.3
[M+HCOO]- 190.97131 143.7
[M+CH3COO]- 204.98696 172.5
[M+Na-2H]- 166.94778 130.6
[M]+ 145.97256 139.5
[M]- 145.97366 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.