CID 57047941

2138268-60-5

Structural Information

Molecular Formula
C10H11Br
SMILES
C=CCC1=CC(=CC=C1)CBr
InChI
InChI=1S/C10H11Br/c1-2-4-9-5-3-6-10(7-9)8-11/h2-3,5-7H,1,4,8H2
InChIKey
AMVVAUAQMPIANC-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 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

No literature data available for this compound.

Patent stripe

patents stripe