CID 10420742

1-(bromomethyl)-2,4,5-trimethylbenzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CC1=CC(=C(C=C1C)CBr)C
InChI
InChI=1S/C10H13Br/c1-7-4-9(3)10(6-11)5-8(7)2/h4-5H,6H2,1-3H3
InChIKey
ZHGUKHABIUDZDU-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,4,5-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

212.02007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02735 137.3
[M+Na]+ 235.00929 142.5
[M+NH4]+ 230.05389 143.4
[M+K]+ 250.98323 141.0
[M-H]- 211.01279 139.1
[M+Na-2H]- 232.99474 141.8
[M]+ 212.01952 137.5
[M]- 212.02062 137.5
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