CID 458738

4-acetylaminophenylthiocyanate

Structural Information

Molecular Formula
C9H8N2OS
SMILES
CC(=O)NC1=CC=C(C=C1)SC#N
InChI
InChI=1S/C9H8N2OS/c1-7(12)11-8-2-4-9(5-3-8)13-6-10/h2-5H,1H3,(H,11,12)
InChIKey
APEAGEVJCMOJFZ-UHFFFAOYSA-N
Compound name
(4-acetamidophenyl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

192.03574 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04302 145.7
[M+Na]+ 215.02496 155.5
[M-H]- 191.02846 149.8
[M+NH4]+ 210.06956 163.7
[M+K]+ 230.99890 152.5
[M+H-H2O]+ 175.03300 133.3
[M+HCOO]- 237.03394 161.8
[M+CH3COO]- 251.04959 195.6
[M+Na-2H]- 213.01041 148.6
[M]+ 192.03519 142.2
[M]- 192.03629 142.2
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.