CID 162765

Methyl 4-aminobenzenecarbodithioate

Structural Information

Molecular Formula
C8H9NS2
SMILES
CSC(=S)C1=CC=C(C=C1)N
InChI
InChI=1S/C8H9NS2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3
InChIKey
JIMNUMODUJITEG-UHFFFAOYSA-N
Compound name
methyl 4-aminobenzenecarbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.01764 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02492 135.3
[M+Na]+ 206.00686 146.5
[M+NH4]+ 201.05146 145.1
[M+K]+ 221.98080 136.6
[M-H]- 182.01036 138.8
[M+Na-2H]- 203.99231 141.0
[M]+ 183.01709 138.8
[M]- 183.01819 138.8
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

patents stripe