CID 820777

Thioacetanilide

Structural Information

Molecular Formula
C8H9NS
SMILES
CC(=S)NC1=CC=CC=C1
InChI
InChI=1S/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
InChIKey
MWCGLTCRJJFXKR-UHFFFAOYSA-N
Compound name
N-phenylethanethioamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

1032
Patents

151.04558 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05286 129.1
[M+Na]+ 174.03480 136.4
[M-H]- 150.03830 133.0
[M+NH4]+ 169.07940 150.5
[M+K]+ 190.00874 133.5
[M+H-H2O]+ 134.04284 123.4
[M+HCOO]- 196.04378 148.8
[M+CH3COO]- 210.05943 176.3
[M+Na-2H]- 172.02025 133.6
[M]+ 151.04503 128.6
[M]- 151.04613 128.6
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