CID 22166226

1-bromo-4-(but-1-en-2-yl)benzene

Structural Information

Molecular Formula
C10H11Br
SMILES
CCC(=C)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H11Br/c1-3-8(2)9-4-6-10(11)7-5-9/h4-7H,2-3H2,1H3
InChIKey
RGATWDYVVSRVCF-UHFFFAOYSA-N
Compound name
1-bromo-4-but-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

210.00441 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01169 138.1
[M+Na]+ 232.99363 149.3
[M-H]- 208.99713 144.5
[M+NH4]+ 228.03823 160.7
[M+K]+ 248.96757 138.1
[M+H-H2O]+ 193.00167 138.7
[M+HCOO]- 255.00261 159.0
[M+CH3COO]- 269.01826 185.9
[M+Na-2H]- 230.97908 144.9
[M]+ 210.00386 156.0
[M]- 210.00496 156.0
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