CID 54046903

818-47-3

Structural Information

Molecular Formula
C7H11Br
SMILES
CC(=CCCBr)C=C
InChI
InChI=1S/C7H11Br/c1-3-7(2)5-4-6-8/h3,5H,1,4,6H2,2H3
InChIKey
LQFAWCKIXMILTH-UHFFFAOYSA-N
Compound name
6-bromo-3-methylhexa-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

174.00441 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.011686 131.6
[M+Na]+ 196.993628 142.4
[M-H]- 172.997134 134.7
[M+NH4]+ 192.038233 155.5
[M+K]+ 212.967568 131.5
[M+H-H2O]+ 157.001670 132.7
[M+HCOO]- 219.002611 152.0
[M+CH3COO]- 233.018261 179.5
[M+Na-2H]- 194.979076 138.2
[M]+ 174.00386142 149.5
[M]- 174.00495858 149.5
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

patents stripe