CID 140617323

3,4-dihydroxybenzoyl-[acp]

Structural Information

Molecular Formula
C7H6O3S
SMILES
C1=CC(=C(C=C1C(=O)S)O)O
InChI
InChI=1S/C7H6O3S/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
InChIKey
SXHRBVBKZZCTNT-UHFFFAOYSA-N
Compound name
3,4-dihydroxybenzenecarbothioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

170.00377 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.011046 130.3
[M+Na]+ 192.992988 139.4
[M-H]- 168.996494 132.3
[M+NH4]+ 188.037593 150.2
[M+K]+ 208.966928 136.5
[M+H-H2O]+ 153.001030 125.6
[M+HCOO]- 215.001971 147.0
[M+CH3COO]- 229.017621 172.3
[M+Na-2H]- 190.978436 132.9
[M]+ 170.00322142 131.7
[M]- 170.00431858 131.7
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.