CID 102139523

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

Structural Information

Molecular Formula
C10H11Br
SMILES
CC1=CC(=C(C=C1)/C=C/Br)C
InChI
InChI=1S/C10H11Br/c1-8-3-4-10(5-6-11)9(2)7-8/h3-7H,1-2H3/b6-5+
InChIKey
XJUXMKBPSJZIFF-AATRIKPKSA-N
Compound name
1-[(E)-2-bromoethenyl]-2,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.00441 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.011686 136.7
[M+Na]+ 232.993628 149.2
[M-H]- 208.997134 143.5
[M+NH4]+ 228.038233 159.8
[M+K]+ 248.967568 137.6
[M+H-H2O]+ 193.001670 137.6
[M+HCOO]- 255.002611 158.7
[M+CH3COO]- 269.018261 185.6
[M+Na-2H]- 230.979076 144.2
[M]+ 210.00386142 155.6
[M]- 210.00495858 155.6
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.