CID 13376679

2-(1-bromoethyl)-1,4-dimethylbenzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CC1=CC(=C(C=C1)C)C(C)Br
InChI
InChI=1S/C10H13Br/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6,9H,1-3H3
InChIKey
CLKSPDLNWMWBBO-UHFFFAOYSA-N
Compound name
2-(1-bromoethyl)-1,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

212.02007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02735 136.7
[M+Na]+ 235.00929 141.2
[M+NH4]+ 230.05389 142.7
[M+K]+ 250.98323 140.4
[M-H]- 211.01279 138.3
[M+Na-2H]- 232.99474 141.2
[M]+ 212.01952 136.7
[M]- 212.02062 136.7
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