CID 10955710

1-(1-bromoethyl)-4-(2-methylpropyl)benzene

Structural Information

Molecular Formula
C12H17Br
SMILES
CC(C)CC1=CC=C(C=C1)C(C)Br
InChI
InChI=1S/C12H17Br/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9-10H,8H2,1-3H3
InChIKey
WHSROYYJBJDRBV-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-4-(2-methylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

240.05136 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.058636 149.6
[M+Na]+ 263.040578 159.5
[M-H]- 239.044084 155.7
[M+NH4]+ 258.085183 171.1
[M+K]+ 279.014518 148.7
[M+H-H2O]+ 223.048620 149.8
[M+HCOO]- 285.049561 168.8
[M+CH3COO]- 299.065211 193.2
[M+Na-2H]- 261.026026 154.1
[M]+ 240.05081142 168.3
[M]- 240.05190858 168.3
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