CID 43803363

2-(2,4-dichlorophenyl)-2-(morpholin-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C12H13Cl2NO3
SMILES
C1COCCN1C(C2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C12H13Cl2NO3/c13-8-1-2-9(10(14)7-8)11(12(16)17)15-3-5-18-6-4-15/h1-2,7,11H,3-6H2,(H,16,17)
InChIKey
MHBUPVNBRFBBHG-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.02725 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03453 158.9
[M+Na]+ 312.01647 165.4
[M-H]- 288.01997 162.3
[M+NH4]+ 307.06107 172.1
[M+K]+ 327.99041 161.7
[M+H-H2O]+ 272.02451 152.7
[M+HCOO]- 334.02545 165.1
[M+CH3COO]- 348.04110 194.9
[M+Na-2H]- 310.00192 160.6
[M]+ 289.02670 158.8
[M]- 289.02780 158.8
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

No patent data available for this compound.