CID 2763555

2-chloro-4-(morpholin-4-yl)benzoic acid hydrochloride

Structural Information

Molecular Formula
C11H12ClNO3
SMILES
C1COCCN1C2=CC(=C(C=C2)C(=O)O)Cl
InChI
InChI=1S/C11H12ClNO3/c12-10-7-8(1-2-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChIKey
AJCOZBPUPGTLME-UHFFFAOYSA-N
Compound name
2-chloro-4-morpholin-4-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

241.05057 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05785 150.0
[M+Na]+ 264.03979 156.9
[M-H]- 240.04329 154.2
[M+NH4]+ 259.08439 164.7
[M+K]+ 280.01373 154.1
[M+H-H2O]+ 224.04783 143.2
[M+HCOO]- 286.04877 162.5
[M+CH3COO]- 300.06442 186.4
[M+Na-2H]- 262.02524 154.0
[M]+ 241.05002 148.9
[M]- 241.05112 148.9
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