CID 372609

Nsc647970

Structural Information

Molecular Formula
C14H14O3S
SMILES
CC1=CC2=C(C3=C1OC(S3)(C)C)C(=O)C(=CO2)C
InChI
InChI=1S/C14H14O3S/c1-7-5-9-10(11(15)8(2)6-16-9)13-12(7)17-14(3,4)18-13/h5-6H,1-4H3
InChIKey
FKQVTENSZITDMN-UHFFFAOYSA-N
Compound name
2,2,4,8-tetramethyl-[1,3]oxathiolo[4,5-f]chromen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.06638 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07366 152.7
[M+Na]+ 285.05560 165.9
[M-H]- 261.05910 161.1
[M+NH4]+ 280.10020 174.6
[M+K]+ 301.02954 164.4
[M+H-H2O]+ 245.06364 149.0
[M+HCOO]- 307.06458 168.8
[M+CH3COO]- 321.08023 167.6
[M+Na-2H]- 283.04105 158.1
[M]+ 262.06583 161.0
[M]- 262.06693 161.0
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.