CID 69402307

2-(bromomethyl)-1,3-diethylbenzene

Structural Information

Molecular Formula
C11H15Br
SMILES
CCC1=C(C(=CC=C1)CC)CBr
InChI
InChI=1S/C11H15Br/c1-3-9-6-5-7-10(4-2)11(9)8-12/h5-7H,3-4,8H2,1-2H3
InChIKey
PFUQGCXGNUIXTP-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,3-diethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.0357 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04298 143.1
[M+Na]+ 249.02492 154.7
[M-H]- 225.02842 149.5
[M+NH4]+ 244.06952 165.5
[M+K]+ 264.99886 143.4
[M+H-H2O]+ 209.03296 143.5
[M+HCOO]- 271.03390 164.4
[M+CH3COO]- 285.04955 189.9
[M+Na-2H]- 247.01037 149.9
[M]+ 226.03515 162.9
[M]- 226.03625 162.9
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

patents stripe