CID 2581

Carprofen

Structural Information

Molecular Formula

C₁₅H₁₂ClNO₂

SMILES

CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)

InChIKey

PUXBGTOOZJQSKH-UHFFFAOYSA-N

Compound name

2-(6-chloro-9H-carbazol-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 744
References: 34258
Patents: 273.05566 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.062936	158.8
[M+Na]+	296.044878	169.6
[M-H]-	272.048384	161.2
[M+NH4]+	291.089483	177.6
[M+K]+	312.018818	162.8
[M+H-H2O]+	256.052920	153.6
[M+HCOO]-	318.053861	173.0
[M+CH3COO]-	332.069511	170.9
[M+Na-2H]-	294.030326	162.6
[M]+	273.05511142	161.8
[M]-	273.05620858	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe