CID 12714118

4-bromohepta-1,6-diene

Structural Information

Molecular Formula
C7H11Br
SMILES
C=CCC(CC=C)Br
InChI
InChI=1S/C7H11Br/c1-3-5-7(8)6-4-2/h3-4,7H,1-2,5-6H2
InChIKey
DATMXJZVRMAEML-UHFFFAOYSA-N
Compound name
4-bromohepta-1,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

174.00441 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.011686 131.4
[M+Na]+ 196.993628 142.2
[M-H]- 172.997134 134.5
[M+NH4]+ 192.038233 155.2
[M+K]+ 212.967568 131.2
[M+H-H2O]+ 157.001670 132.5
[M+HCOO]- 219.002611 151.8
[M+CH3COO]- 233.018261 180.2
[M+Na-2H]- 194.979076 138.0
[M]+ 174.00386142 149.4
[M]- 174.00495858 149.4
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

patents stripe