CID 102216974

2-[(e)-2-bromoethenyl]-1,3,5-trimethylbenzene

Structural Information

Molecular Formula
C11H13Br
SMILES
CC1=CC(=C(C(=C1)C)/C=C/Br)C
InChI
InChI=1S/C11H13Br/c1-8-6-9(2)11(4-5-12)10(3)7-8/h4-7H,1-3H3/b5-4+
InChIKey
BNGCWWZAJNJNJY-SNAWJCMRSA-N
Compound name
2-[(E)-2-bromoethenyl]-1,3,5-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.027346 140.4
[M+Na]+ 247.009288 153.3
[M-H]- 223.012794 147.3
[M+NH4]+ 242.053893 163.2
[M+K]+ 262.983228 141.5
[M+H-H2O]+ 207.017330 141.2
[M+HCOO]- 269.018271 162.0
[M+CH3COO]- 283.033921 189.4
[M+Na-2H]- 244.994736 146.7
[M]+ 224.01952142 159.9
[M]- 224.02061858 159.9
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

No patent data available for this compound.