CID 42818

5-bromo-3-methyl-2-(oxiranylmethoxy)benzamide

Structural Information

Molecular Formula
C11H12BrNO3
SMILES
CC1=CC(=CC(=C1OCC2CO2)C(=O)N)Br
InChI
InChI=1S/C11H12BrNO3/c1-6-2-7(12)3-9(11(13)14)10(6)16-5-8-4-15-8/h2-3,8H,4-5H2,1H3,(H2,13,14)
InChIKey
TWXDZXRKESXXCF-UHFFFAOYSA-N
Compound name
5-bromo-3-methyl-2-(oxiran-2-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.00006 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00734 154.3
[M+Na]+ 307.98928 167.2
[M-H]- 283.99278 164.7
[M+NH4]+ 303.03388 167.9
[M+K]+ 323.96322 156.5
[M+H-H2O]+ 267.99732 152.6
[M+HCOO]- 329.99826 175.1
[M+CH3COO]- 344.01391 201.6
[M+Na-2H]- 305.97473 159.6
[M]+ 284.99951 176.5
[M]- 285.00061 176.5
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

No patent data available for this compound.