CID 68243

Dithiosalicylic acid

Structural Information

Molecular Formula
C7H6OS2
SMILES
C1=CC=C(C(=C1)C(=S)S)O
InChI
InChI=1S/C7H6OS2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKey
AJQLEJAVGARHGQ-UHFFFAOYSA-N
Compound name
2-hydroxybenzenecarbodithioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

977
Patents

169.98601 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.993286 129.1
[M+Na]+ 192.975228 137.9
[M-H]- 168.978734 131.8
[M+NH4]+ 188.019833 149.6
[M+K]+ 208.949168 133.4
[M+H-H2O]+ 152.983270 124.2
[M+HCOO]- 214.984211 141.0
[M+CH3COO]- 228.999861 174.7
[M+Na-2H]- 190.960676 130.4
[M]+ 169.98546142 129.8
[M]- 169.98655858 129.8
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