CID 3485712

2-(but-3-en-1-yl)bromobenzene

Structural Information

Molecular Formula
C10H11Br
SMILES
C=CCCC1=CC=CC=C1Br
InChI
InChI=1S/C10H11Br/c1-2-3-6-9-7-4-5-8-10(9)11/h2,4-5,7-8H,1,3,6H2
InChIKey
YYTVAFQKTIHSHB-UHFFFAOYSA-N
Compound name
1-bromo-2-but-3-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

210.00441 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.011686 137.5
[M+Na]+ 232.993628 149.0
[M-H]- 208.997134 143.8
[M+NH4]+ 228.038233 160.2
[M+K]+ 248.967568 137.4
[M+H-H2O]+ 193.001670 138.1
[M+HCOO]- 255.002611 159.4
[M+CH3COO]- 269.018261 185.2
[M+Na-2H]- 230.979076 145.6
[M]+ 210.00386142 156.1
[M]- 210.00495858 156.1
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