CID 22164302

1-(3-bromoprop-1-en-2-yl)-3-methoxybenzene

Structural Information

Molecular Formula
C10H11BrO
SMILES
COC1=CC=CC(=C1)C(=C)CBr
InChI
InChI=1S/C10H11BrO/c1-8(7-11)9-4-3-5-10(6-9)12-2/h3-6H,1,7H2,2H3
InChIKey
QEYNYDFAJHNECS-UHFFFAOYSA-N
Compound name
1-(3-bromoprop-1-en-2-yl)-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

225.99933 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 141.2
[M+Na]+ 248.98855 152.3
[M-H]- 224.99205 147.5
[M+NH4]+ 244.03315 163.1
[M+K]+ 264.96249 141.5
[M+H-H2O]+ 208.99659 141.6
[M+HCOO]- 270.99753 162.4
[M+CH3COO]- 285.01318 187.7
[M+Na-2H]- 246.97400 148.0
[M]+ 225.99878 160.5
[M]- 225.99988 160.5
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