CID 63216720

4-bromo-1-(but-3-yn-1-yloxy)-2-methylbenzene

Structural Information

Molecular Formula
C11H11BrO
SMILES
CC1=C(C=CC(=C1)Br)OCCC#C
InChI
InChI=1S/C11H11BrO/c1-3-4-7-13-11-6-5-10(12)8-9(11)2/h1,5-6,8H,4,7H2,2H3
InChIKey
CAJNYAJYMPWWIR-UHFFFAOYSA-N
Compound name
4-bromo-1-but-3-ynoxy-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.99933 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00661 140.3
[M+Na]+ 260.98855 154.5
[M-H]- 236.99205 144.2
[M+NH4]+ 256.03315 159.8
[M+K]+ 276.96249 142.2
[M+H-H2O]+ 220.99659 134.7
[M+HCOO]- 282.99753 158.9
[M+CH3COO]- 297.01318 197.3
[M+Na-2H]- 258.97400 146.5
[M]+ 237.99878 153.9
[M]- 237.99988 153.9
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.