CID 12784363

(3-bromo-2-methylpropyl)benzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CC(CC1=CC=CC=C1)CBr
InChI
InChI=1S/C10H13Br/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKey
RMYMVZYEHYEORU-UHFFFAOYSA-N
Compound name
(3-bromo-2-methylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

212.02007 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.027346 140.8
[M+Na]+ 235.009288 150.8
[M-H]- 211.012794 146.7
[M+NH4]+ 230.053893 163.1
[M+K]+ 250.983228 140.1
[M+H-H2O]+ 195.017330 141.1
[M+HCOO]- 257.018271 161.5
[M+CH3COO]- 271.033921 185.8
[M+Na-2H]- 232.994736 148.1
[M]+ 212.01952142 159.0
[M]- 212.02061858 159.0
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