CID 86210049

463946-39-6

Structural Information

Molecular Formula
C10H9BrO
SMILES
COC1=CC=CC(=C1)C#CCBr
InChI
InChI=1S/C10H9BrO/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6,8H,7H2,1H3
InChIKey
HFFALYRTEZBHJI-UHFFFAOYSA-N
Compound name
1-(3-bromoprop-1-ynyl)-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.98367 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 137.7
[M+Na]+ 246.97289 151.7
[M-H]- 222.97639 141.4
[M+NH4]+ 242.01749 157.5
[M+K]+ 262.94683 139.5
[M+H-H2O]+ 206.98093 132.1
[M+HCOO]- 268.98187 156.5
[M+CH3COO]- 282.99752 192.7
[M+Na-2H]- 244.95834 144.8
[M]+ 223.98312 150.5
[M]- 223.98422 150.5
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