CID 43793502

1-(4-bromophenyl)-4-methoxybutan-1-one

Structural Information

Molecular Formula
C11H13BrO2
SMILES
COCCCC(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C11H13BrO2/c1-14-8-2-3-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3
InChIKey
PKRQFHXFIKPOMF-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-4-methoxybutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0099 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01718 148.8
[M+Na]+ 278.99912 159.4
[M-H]- 255.00262 154.9
[M+NH4]+ 274.04372 169.5
[M+K]+ 294.97306 148.8
[M+H-H2O]+ 239.00716 148.6
[M+HCOO]- 301.00810 169.8
[M+CH3COO]- 315.02375 192.4
[M+Na-2H]- 276.98457 155.0
[M]+ 256.00935 169.7
[M]- 256.01045 169.7
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

No patent data available for this compound.