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]+ 225.02735 140.4
[M+Na]+ 247.00929 153.3
[M-H]- 223.01279 147.3
[M+NH4]+ 242.05389 163.2
[M+K]+ 262.98323 141.5
[M+H-H2O]+ 207.01733 141.2
[M+HCOO]- 269.01827 162.0
[M+CH3COO]- 283.03392 189.4
[M+Na-2H]- 244.99474 146.7
[M]+ 224.01952 159.9
[M]- 224.02062 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.