CID 2800333

Naphthalene-2-carbothioamide

Structural Information

Molecular Formula
C11H9NS
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=S)N
InChI
InChI=1S/C11H9NS/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)
InChIKey
ZQGJZFKITDDUEH-UHFFFAOYSA-N
Compound name
naphthalene-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

187.04558 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05286 136.1
[M+Na]+ 210.03480 144.5
[M-H]- 186.03830 140.4
[M+NH4]+ 205.07940 157.0
[M+K]+ 226.00874 139.9
[M+H-H2O]+ 170.04284 130.4
[M+HCOO]- 232.04378 154.2
[M+CH3COO]- 246.05943 149.3
[M+Na-2H]- 208.02025 141.2
[M]+ 187.04503 135.2
[M]- 187.04613 135.2
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