CID 20432792

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

Structural Information

Molecular Formula
C10H13Br
SMILES
CC1=CC(=C(C=C1)C)CCBr
InChI
InChI=1S/C10H13Br/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5-6H2,1-2H3
InChIKey
SZXOBNVFLIZUAX-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-1,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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 138.3
[M+Na]+ 235.009288 150.4
[M-H]- 211.012794 145.0
[M+NH4]+ 230.053893 161.3
[M+K]+ 250.983228 139.4
[M+H-H2O]+ 195.017330 139.0
[M+HCOO]- 257.018271 160.1
[M+CH3COO]- 271.033921 187.0
[M+Na-2H]- 232.994736 145.7
[M]+ 212.01952142 157.9
[M]- 212.02061858 157.9
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