CID 18477267

1-(4-bromobutyl)-2-ethenylbenzene

Structural Information

Molecular Formula
C12H15Br
SMILES
C=CC1=CC=CC=C1CCCCBr
InChI
InChI=1S/C12H15Br/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h2-4,7-8H,1,5-6,9-10H2
InChIKey
CCRVLYVLOUAXNZ-UHFFFAOYSA-N
Compound name
1-(4-bromobutyl)-2-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

238.0357 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.042976 146.8
[M+Na]+ 261.024918 157.5
[M-H]- 237.028424 152.8
[M+NH4]+ 256.069523 168.5
[M+K]+ 276.998858 145.4
[M+H-H2O]+ 221.032960 147.0
[M+HCOO]- 283.033901 168.1
[M+CH3COO]- 297.049551 190.8
[M+Na-2H]- 259.010366 153.8
[M]+ 238.03515142 166.1
[M]- 238.03624858 166.1
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