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

78
Patents

212.02007 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02735 140.8
[M+Na]+ 235.00929 150.8
[M-H]- 211.01279 146.7
[M+NH4]+ 230.05389 163.1
[M+K]+ 250.98323 140.1
[M+H-H2O]+ 195.01733 141.1
[M+HCOO]- 257.01827 161.5
[M+CH3COO]- 271.03392 185.8
[M+Na-2H]- 232.99474 148.1
[M]+ 212.01952 159.0
[M]- 212.02062 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