CID 15480726

1-(bromomethyl)-4-(butan-2-yl)benzene

Structural Information

Molecular Formula
C11H15Br
SMILES
CCC(C)C1=CC=C(C=C1)CBr
InChI
InChI=1S/C11H15Br/c1-3-9(2)11-6-4-10(8-12)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKey
YFEKWKPPDQKGGT-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-butan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

226.0357 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.042976 144.6
[M+Na]+ 249.024918 155.1
[M-H]- 225.028424 150.7
[M+NH4]+ 244.069523 166.6
[M+K]+ 264.998858 144.1
[M+H-H2O]+ 209.032960 144.9
[M+HCOO]- 271.033901 165.0
[M+CH3COO]- 285.049551 189.6
[M+Na-2H]- 247.010366 150.8
[M]+ 226.03515142 163.5
[M]- 226.03624858 163.5
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