CID 12585838

7515-41-5

Structural Information

Molecular Formula
C10H11Br
SMILES
C1=CC=C(C=C1)/C=C/CCBr
InChI
InChI=1S/C10H11Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9H2/b8-4+
InChIKey
YENIUOKSTSIUOR-XBXARRHUSA-N
Compound name
[(E)-4-bromobut-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

210.00441 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.011686 138.5
[M+Na]+ 232.993628 149.2
[M-H]- 208.997134 144.4
[M+NH4]+ 228.038233 160.9
[M+K]+ 248.967568 137.6
[M+H-H2O]+ 193.001670 139.0
[M+HCOO]- 255.002611 160.4
[M+CH3COO]- 269.018261 183.6
[M+Na-2H]- 230.979076 147.2
[M]+ 210.00386142 156.6
[M]- 210.00495858 156.6
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