CID 10420251

4-(4-chlorophenyl)morpholine

Structural Information

Molecular Formula
C10H12ClNO
SMILES
C1COCCN1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClNO/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8H2
InChIKey
KDWPYZPZUPWJGB-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

197.06075 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.068026 140.5
[M+Na]+ 220.049968 147.5
[M-H]- 196.053474 145.6
[M+NH4]+ 215.094573 157.7
[M+K]+ 236.023908 144.8
[M+H-H2O]+ 180.058010 133.5
[M+HCOO]- 242.058951 155.2
[M+CH3COO]- 256.074601 153.0
[M+Na-2H]- 218.035416 147.3
[M]+ 197.06020142 138.8
[M]- 197.06129858 138.8
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