CID 5018372

9-ethyl-3-isothiocyanato-9h-carbazole

Structural Information

Molecular Formula
C15H12N2S
SMILES
CCN1C2=C(C=C(C=C2)N=C=S)C3=CC=CC=C31
InChI
InChI=1S/C15H12N2S/c1-2-17-14-6-4-3-5-12(14)13-9-11(16-10-18)7-8-15(13)17/h3-9H,2H2,1H3
InChIKey
ZDIOYNRRDHVBJM-UHFFFAOYSA-N
Compound name
9-ethyl-3-isothiocyanatocarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

252.07211 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07939 154.5
[M+Na]+ 275.06133 166.9
[M-H]- 251.06483 161.1
[M+NH4]+ 270.10593 176.2
[M+K]+ 291.03527 160.8
[M+H-H2O]+ 235.06937 148.0
[M+HCOO]- 297.07031 175.7
[M+CH3COO]- 311.08596 168.6
[M+Na-2H]- 273.04678 160.0
[M]+ 252.07156 160.3
[M]- 252.07266 160.3
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