CID 130949620

2-(4-bromo-2-methylphenyl)oxirane

Structural Information

Molecular Formula
C9H9BrO
SMILES
CC1=C(C=CC(=C1)Br)C2CO2
InChI
InChI=1S/C9H9BrO/c1-6-4-7(10)2-3-8(6)9-5-11-9/h2-4,9H,5H2,1H3
InChIKey
MXWVGBGBEWPVPF-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-methylphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.98367 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 136.8
[M+Na]+ 234.97289 151.0
[M-H]- 210.97639 148.0
[M+NH4]+ 230.01749 153.9
[M+K]+ 250.94683 141.5
[M+H-H2O]+ 194.98093 136.4
[M+HCOO]- 256.98187 158.6
[M+CH3COO]- 270.99752 187.6
[M+Na-2H]- 232.95834 145.8
[M]+ 211.98312 158.2
[M]- 211.98422 158.2
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