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]+ 270.01241 151.3
[M+Na]+ 291.99435 161.2
[M-H]- 267.99785 159.3
[M+NH4]+ 287.03895 168.7
[M+K]+ 307.96829 151.5
[M+H-H2O]+ 252.00239 150.2
[M+HCOO]- 314.00333 168.5
[M+CH3COO]- 328.01898 192.0
[M+Na-2H]- 289.97980 158.2
[M]+ 269.00458 168.0
[M]- 269.00568 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.