CID 2829611

4-(5-chloro-2-nitrophenyl)morpholine

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
C1COCCN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H11ClN2O3/c11-8-1-2-9(13(14)15)10(7-8)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKey
BDBMOQCOLZWAIO-UHFFFAOYSA-N
Compound name
4-(5-chloro-2-nitrophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

23
Patents

242.04582 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.053096 150.9
[M+Na]+ 265.035038 156.8
[M-H]- 241.038544 156.1
[M+NH4]+ 260.079643 165.2
[M+K]+ 281.008978 150.6
[M+H-H2O]+ 225.043080 148.2
[M+HCOO]- 287.044021 166.6
[M+CH3COO]- 301.059671 183.4
[M+Na-2H]- 263.020486 157.9
[M]+ 242.04527142 148.5
[M]- 242.04636858 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe