CID 22728249

1707365-29-4

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
C1COCCN1C2=C(C=CC=C2Br)C=O
InChI
InChI=1S/C11H12BrNO2/c12-10-3-1-2-9(8-14)11(10)13-4-6-15-7-5-13/h1-3,8H,4-7H2
InChIKey
NHHJMNGAMMJCOG-UHFFFAOYSA-N
Compound name
3-bromo-2-morpholin-4-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.00513 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.012406 151.3
[M+Na]+ 291.994348 161.2
[M-H]- 267.997854 159.3
[M+NH4]+ 287.038953 168.7
[M+K]+ 307.968288 151.5
[M+H-H2O]+ 252.002390 150.2
[M+HCOO]- 314.003331 168.5
[M+CH3COO]- 328.018981 192.0
[M+Na-2H]- 289.979796 158.2
[M]+ 269.00458142 168.0
[M]- 269.00567858 168.0
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

No patent data available for this compound.