CID 10846808

1-(3-bromoprop-1-yn-1-yl)-4-methoxybenzene

Structural Information

Molecular Formula
C10H9BrO
SMILES
COC1=CC=C(C=C1)C#CCBr
InChI
InChI=1S/C10H9BrO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,8H2,1H3
InChIKey
LZRMMEKWZYQTDE-UHFFFAOYSA-N
Compound name
1-(3-bromoprop-1-ynyl)-4-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

literature stripe

Patent stripe

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