CID 20228392

78213-00-0

Structural Information

Molecular Formula
C7H4O4
SMILES
C1=CC2=C(C=C1O)OC(=O)O2
InChI
InChI=1S/C7H4O4/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3,8H
InChIKey
OQNUCIIXJQPBRZ-UHFFFAOYSA-N
Compound name
5-hydroxy-1,3-benzodioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

152.01096 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.01824 120.4
[M+Na]+ 175.00018 132.9
[M-H]- 151.00368 126.6
[M+NH4]+ 170.04478 141.7
[M+K]+ 190.97412 133.2
[M+H-H2O]+ 135.00822 116.4
[M+HCOO]- 197.00916 145.5
[M+CH3COO]- 211.02481 169.8
[M+Na-2H]- 172.98563 131.5
[M]+ 152.01041 126.0
[M]- 152.01151 126.0
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

patents stripe