CID 5113032

49843-98-3

Structural Information

Molecular Formula
C13H13ClN2O
SMILES
C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N
InChI
InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)
InChIKey
FUZYTVDVLBBXDL-UHFFFAOYSA-N
Compound name
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

313
References

409
Patents

248.07164 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07892 153.4
[M+Na]+ 271.06086 163.1
[M-H]- 247.06436 155.9
[M+NH4]+ 266.10546 173.2
[M+K]+ 287.03480 156.3
[M+H-H2O]+ 231.06890 147.9
[M+HCOO]- 293.06984 168.0
[M+CH3COO]- 307.08549 165.3
[M+Na-2H]- 269.04631 157.2
[M]+ 248.07109 152.1
[M]- 248.07219 152.1
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