CID 21225604

120906-16-3

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

194
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

No literature data available for this compound.

Patent stripe

patents stripe