CID 108711

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

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

75
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

No literature data available for this compound.

Patent stripe

patents stripe