CID 10105132

3-(bromomethyl)-1,2,4,5-tetramethylbenzene

Structural Information

Molecular Formula
C11H15Br
SMILES
CC1=CC(=C(C(=C1C)CBr)C)C
InChI
InChI=1S/C11H15Br/c1-7-5-8(2)10(4)11(6-12)9(7)3/h5H,6H2,1-4H3
InChIKey
IUCONKFAVHWGDH-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1,2,4,5-tetramethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

226.0357 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04298 140.9
[M+Na]+ 249.02492 154.3
[M-H]- 225.02842 148.1
[M+NH4]+ 244.06952 164.0
[M+K]+ 264.99886 143.1
[M+H-H2O]+ 209.03296 141.8
[M+HCOO]- 271.03390 162.3
[M+CH3COO]- 285.04955 192.0
[M+Na-2H]- 247.01037 146.6
[M]+ 226.03515 161.5
[M]- 226.03625 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe