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

178
Patents

240.05136 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05864 148.4
[M+Na]+ 263.04058 159.1
[M-H]- 239.04408 154.8
[M+NH4]+ 258.08518 170.2
[M+K]+ 279.01452 148.4
[M+H-H2O]+ 223.04862 148.8
[M+HCOO]- 285.04956 167.6
[M+CH3COO]- 299.06521 194.2
[M+Na-2H]- 261.02603 152.3
[M]+ 240.05081 167.4
[M]- 240.05191 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