CID 42647314

2,3,4,9-tetrahydro-1h-carbazole-6-sulfonyl chloride

Structural Information

Molecular Formula
C12H12ClNO2S
SMILES
C1CCC2=C(C1)C3=C(N2)C=CC(=C3)S(=O)(=O)Cl
InChI
InChI=1S/C12H12ClNO2S/c13-17(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2
InChIKey
IECUNEHTOJKUPB-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-carbazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.02774 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03502 156.4
[M+Na]+ 292.01696 167.6
[M-H]- 268.02046 159.9
[M+NH4]+ 287.06156 176.7
[M+K]+ 307.99090 161.3
[M+H-H2O]+ 252.02500 152.3
[M+HCOO]- 314.02594 166.0
[M+CH3COO]- 328.04159 168.8
[M+Na-2H]- 290.00241 161.5
[M]+ 269.02719 159.5
[M]- 269.02829 159.5
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.