CID 12705531

(1-bromo-2-methylpropyl)benzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CC(C)C(C1=CC=CC=C1)Br
InChI
InChI=1S/C10H13Br/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey
RHGAFWACIZXDNF-UHFFFAOYSA-N
Compound name
(1-bromo-2-methylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

212.02007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.027346 141.3
[M+Na]+ 235.009288 151.0
[M-H]- 211.012794 147.3
[M+NH4]+ 230.053893 163.5
[M+K]+ 250.983228 140.8
[M+H-H2O]+ 195.017330 141.7
[M+HCOO]- 257.018271 161.1
[M+CH3COO]- 271.033921 186.5
[M+Na-2H]- 232.994736 147.4
[M]+ 212.01952142 158.9
[M]- 212.02061858 158.9
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