CID 22087498

1-bromo-2-methyl-4-(propan-2-yl)benzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CC1=C(C=CC(=C1)C(C)C)Br
InChI
InChI=1S/C10H13Br/c1-7(2)9-4-5-10(11)8(3)6-9/h4-7H,1-3H3
InChIKey
JYXOCDNYFHKKIE-UHFFFAOYSA-N
Compound name
1-bromo-2-methyl-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

212.02007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02735 136.7
[M+Na]+ 235.00929 141.2
[M+NH4]+ 230.05389 142.7
[M+K]+ 250.98323 140.4
[M-H]- 211.01279 138.3
[M+Na-2H]- 232.99474 141.2
[M]+ 212.01952 136.7
[M]- 212.02062 136.7
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

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