CID 60772202

4-bromo-2-methyl-1-(prop-2-yn-1-yloxy)benzene

Structural Information

Molecular Formula
C10H9BrO
SMILES
CC1=C(C=CC(=C1)Br)OCC#C
InChI
InChI=1S/C10H9BrO/c1-3-6-12-10-5-4-9(11)7-8(10)2/h1,4-5,7H,6H2,2H3
InChIKey
NXTDDLKCBGVBES-UHFFFAOYSA-N
Compound name
4-bromo-2-methyl-1-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.98367 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 136.3
[M+Na]+ 246.97289 150.8
[M-H]- 222.97639 140.3
[M+NH4]+ 242.01749 156.2
[M+K]+ 262.94683 138.8
[M+H-H2O]+ 206.98093 130.8
[M+HCOO]- 268.98187 155.1
[M+CH3COO]- 282.99752 194.7
[M+Na-2H]- 244.95834 142.9
[M]+ 223.98312 149.5
[M]- 223.98422 149.5
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

No patent data available for this compound.