CID 465168

Benzodithiole carbamic der.

Structural Information

Molecular Formula
C9H9NOS2
SMILES
C1=CC=C2C(=C1)C(=NCCO)SS2
InChI
InChI=1S/C9H9NOS2/c11-6-5-10-9-7-3-1-2-4-8(7)12-13-9/h1-4,11H,5-6H2
InChIKey
SZIOOEAIMVFKRY-UHFFFAOYSA-N
Compound name
2-(1,2-benzodithiol-3-ylideneamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.01256 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01984 139.1
[M+Na]+ 234.00178 150.3
[M-H]- 210.00528 144.4
[M+NH4]+ 229.04638 161.8
[M+K]+ 249.97572 145.2
[M+H-H2O]+ 194.00982 134.3
[M+HCOO]- 256.01076 156.4
[M+CH3COO]- 270.02641 153.3
[M+Na-2H]- 231.98723 143.6
[M]+ 211.01201 143.9
[M]- 211.01311 143.9
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

No patent data available for this compound.