CID 5362582

2,4-dibromo-6-methylphenyl glycidyl ether

Structural Information

Molecular Formula
C10H10Br2O2
SMILES
CC1=CC(=CC(=C1OCC2CO2)Br)Br
InChI
InChI=1S/C10H10Br2O2/c1-6-2-7(11)3-9(12)10(6)14-5-8-4-13-8/h2-3,8H,4-5H2,1H3
InChIKey
XQTJZNGNEJLXTR-UHFFFAOYSA-N
Compound name
2-[(2,4-dibromo-6-methylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

319.90475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.91203 150.1
[M+Na]+ 342.89397 163.1
[M-H]- 318.89747 160.7
[M+NH4]+ 337.93857 164.5
[M+K]+ 358.86791 148.9
[M+H-H2O]+ 302.90201 157.0
[M+HCOO]- 364.90295 166.3
[M+CH3COO]- 378.91860 208.8
[M+Na-2H]- 340.87942 157.0
[M]+ 319.90420 187.0
[M]- 319.90530 187.0
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