CID 12140915

2-bromo-1,3-bis(propan-2-yl)benzene

Structural Information

Molecular Formula
C12H17Br
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)Br
InChI
InChI=1S/C12H17Br/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
InChIKey
QEOQKWIURDCGIJ-UHFFFAOYSA-N
Compound name
2-bromo-1,3-di(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

240.05136 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.058636 148.4
[M+Na]+ 263.040578 159.1
[M-H]- 239.044084 154.8
[M+NH4]+ 258.085183 170.2
[M+K]+ 279.014518 148.4
[M+H-H2O]+ 223.048620 148.8
[M+HCOO]- 285.049561 167.6
[M+CH3COO]- 299.065211 194.2
[M+Na-2H]- 261.026026 152.3
[M]+ 240.05081142 167.4
[M]- 240.05190858 167.4
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