CID 28603570

2-chloro-6-(morpholin-4-yl)benzaldehyde

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1COCCN1C2=C(C(=CC=C2)Cl)C=O
InChI
InChI=1S/C11H12ClNO2/c12-10-2-1-3-11(9(10)8-14)13-4-6-15-7-5-13/h1-3,8H,4-7H2
InChIKey
ZVRQUHIYZASEFQ-UHFFFAOYSA-N
Compound name
2-chloro-6-morpholin-4-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

225.05565 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 147.1
[M+Na]+ 248.04487 154.8
[M-H]- 224.04837 152.5
[M+NH4]+ 243.08947 163.3
[M+K]+ 264.01881 151.8
[M+H-H2O]+ 208.05291 139.9
[M+HCOO]- 270.05385 161.8
[M+CH3COO]- 284.06950 185.9
[M+Na-2H]- 246.03032 152.6
[M]+ 225.05510 146.8
[M]- 225.05620 146.8
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