CID 19813187

1-(2-bromoethyl)-4-ethylbenzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CCC1=CC=C(C=C1)CCBr
InChI
InChI=1S/C10H13Br/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6H,2,7-8H2,1H3
InChIKey
FWBJWFXOZYZDDZ-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-ethylbenzene
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]+ 213.02735 139.2
[M+Na]+ 235.00929 150.4
[M-H]- 211.01279 145.5
[M+NH4]+ 230.05389 161.9
[M+K]+ 250.98323 139.4
[M+H-H2O]+ 195.01733 139.7
[M+HCOO]- 257.01827 161.0
[M+CH3COO]- 271.03392 186.0
[M+Na-2H]- 232.99474 147.2
[M]+ 212.01952 158.4
[M]- 212.02062 158.4
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