CID 119932

28341-66-4

Structural Information

Molecular Formula
C14H14O4S
SMILES
CC1=C(C=CC(=C1O)SC2=C(C(=C(C=C2)O)C)O)O
InChI
InChI=1S/C14H14O4S/c1-7-9(15)3-5-11(13(7)17)19-12-6-4-10(16)8(2)14(12)18/h3-6,15-18H,1-2H3
InChIKey
IQPFAEANKOAQPX-UHFFFAOYSA-N
Compound name
4-(2,4-dihydroxy-3-methylphenyl)sulfanyl-2-methylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

278.06128 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06856 161.6
[M+Na]+ 301.05050 175.0
[M+NH4]+ 296.09510 168.9
[M+K]+ 317.02444 167.8
[M-H]- 277.05400 164.2
[M+Na-2H]- 299.03595 167.0
[M]+ 278.06073 164.7
[M]- 278.06183 164.7
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

patents stripe