CID 612977

6-chloro-2,3,4,9-tetrahydro-1h-carbazol-1-one

Structural Information

Molecular Formula
C12H10ClNO
SMILES
C1CC2=C(C(=O)C1)NC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C12H10ClNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h4-6,14H,1-3H2
InChIKey
PUQOGOYIOUCDPE-UHFFFAOYSA-N
Compound name
6-chloro-2,3,4,9-tetrahydrocarbazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

64
Patents

219.04509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05237 144.6
[M+Na]+ 242.03431 156.0
[M-H]- 218.03781 147.8
[M+NH4]+ 237.07891 166.3
[M+K]+ 258.00825 149.2
[M+H-H2O]+ 202.04235 139.3
[M+HCOO]- 264.04329 160.2
[M+CH3COO]- 278.05894 157.9
[M+Na-2H]- 240.01976 150.5
[M]+ 219.04454 145.1
[M]- 219.04564 145.1
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