CID 16772378

3-chloro-4-[(morpholin-4-yl)carbonyl]aniline

Structural Information

Molecular Formula
C11H13ClN2O2
SMILES
C1COCCN1C(=O)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C11H13ClN2O2/c12-10-7-8(13)1-2-9(10)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6,13H2
InChIKey
PFROQKWMWAATAB-UHFFFAOYSA-N
Compound name
(4-amino-2-chlorophenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

240.06656 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07384 152.9
[M+Na]+ 263.05578 159.6
[M-H]- 239.05928 157.9
[M+NH4]+ 258.10038 167.9
[M+K]+ 279.02972 156.6
[M+H-H2O]+ 223.06382 145.6
[M+HCOO]- 285.06476 167.1
[M+CH3COO]- 299.08041 190.5
[M+Na-2H]- 261.04123 156.5
[M]+ 240.06601 150.4
[M]- 240.06711 150.4
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