CID 43085540

2-(4-bromo-2-formylphenoxy)-n-methylpropanamide

Structural Information

Molecular Formula
C11H12BrNO3
SMILES
CC(C(=O)NC)OC1=C(C=C(C=C1)Br)C=O
InChI
InChI=1S/C11H12BrNO3/c1-7(11(15)13-2)16-10-4-3-9(12)5-8(10)6-14/h3-7H,1-2H3,(H,13,15)
InChIKey
TWUYKDGCHSKHQL-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-formylphenoxy)-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

285.00006 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00734 153.5
[M+Na]+ 307.98928 163.7
[M-H]- 283.99278 159.7
[M+NH4]+ 303.03388 172.6
[M+K]+ 323.96322 153.2
[M+H-H2O]+ 267.99732 152.3
[M+HCOO]- 329.99826 174.7
[M+CH3COO]- 344.01391 199.3
[M+Na-2H]- 305.97473 158.0
[M]+ 284.99951 173.9
[M]- 285.00061 173.9
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