CID 11958980

2-bromo-1,4-bis(propan-2-yl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

240.05136 Da
Monoisotopic Mass

4.9
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

literature stripe

Patent stripe

patents stripe