CID 91874960

1-(3-bromo-prop-1-ynyl)-3-methyl-benzene

Structural Information

Molecular Formula
C10H9Br
SMILES
CC1=CC(=CC=C1)C#CCBr
InChI
InChI=1S/C10H9Br/c1-9-4-2-5-10(8-9)6-3-7-11/h2,4-5,8H,7H2,1H3
InChIKey
TUWRDUQOXDZGFL-UHFFFAOYSA-N
Compound name
1-(3-bromoprop-1-ynyl)-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.98875 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99603 137.1
[M+Na]+ 230.97797 142.3
[M+NH4]+ 226.02257 140.2
[M+K]+ 246.95191 137.7
[M-H]- 206.98147 131.8
[M+Na-2H]- 228.96342 139.5
[M]+ 207.98820 134.7
[M]- 207.98930 134.7
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