CID 21225604

1-allyl-2-(bromomethyl)benzene

Structural Information

Molecular Formula
C10H11Br
SMILES
C=CCC1=CC=CC=C1CBr
InChI
InChI=1S/C10H11Br/c1-2-5-9-6-3-4-7-10(9)8-11/h2-4,6-7H,1,5,8H2
InChIKey
NTCCVABHGLOWIT-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

210.00441 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01169 137.4
[M+Na]+ 232.99363 142.0
[M+NH4]+ 228.03823 143.3
[M+K]+ 248.96757 140.1
[M-H]- 208.99713 139.0
[M+Na-2H]- 230.97908 142.2
[M]+ 210.00386 137.4
[M]- 210.00496 137.4
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