CID 9361769

878466-37-6

Structural Information

Molecular Formula
C10H9ClO4
SMILES
C1COC2=C(O1)C=C(C=C2Cl)CC(=O)O
InChI
InChI=1S/C10H9ClO4/c11-7-3-6(5-9(12)13)4-8-10(7)15-2-1-14-8/h3-4H,1-2,5H2,(H,12,13)
InChIKey
UYFYZSNAKPZNME-UHFFFAOYSA-N
Compound name
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.01894 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02622 143.6
[M+Na]+ 251.00816 152.2
[M-H]- 227.01166 148.2
[M+NH4]+ 246.05276 160.4
[M+K]+ 266.98210 151.0
[M+H-H2O]+ 211.01620 138.9
[M+HCOO]- 273.01714 157.0
[M+CH3COO]- 287.03279 184.6
[M+Na-2H]- 248.99361 150.9
[M]+ 228.01839 146.6
[M]- 228.01949 146.6
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.