CID 19831941

1-(bromomethyl)-4-(prop-2-en-1-yl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
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 137.5
[M+Na]+ 232.99363 149.0
[M-H]- 208.99713 143.8
[M+NH4]+ 228.03823 160.2
[M+K]+ 248.96757 137.4
[M+H-H2O]+ 193.00167 138.1
[M+HCOO]- 255.00261 159.4
[M+CH3COO]- 269.01826 185.2
[M+Na-2H]- 230.97908 145.6
[M]+ 210.00386 156.1
[M]- 210.00496 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