CID 54055902

2-bromo-1-methyl-3-(prop-2-en-1-yl)benzene

Structural Information

Molecular Formula
C10H11Br
SMILES
CC1=C(C(=CC=C1)CC=C)Br
InChI
InChI=1S/C10H11Br/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7H,1,5H2,2H3
InChIKey
LWFNFBHLSQWCSE-UHFFFAOYSA-N
Compound name
2-bromo-1-methyl-3-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.00441 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01169 136.6
[M+Na]+ 232.99363 148.9
[M-H]- 208.99713 143.2
[M+NH4]+ 228.03823 159.6
[M+K]+ 248.96757 137.3
[M+H-H2O]+ 193.00167 137.4
[M+HCOO]- 255.00261 158.5
[M+CH3COO]- 269.01826 186.2
[M+Na-2H]- 230.97908 144.0
[M]+ 210.00386 155.5
[M]- 210.00496 155.5
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