CID 69407186

398156-38-2

Structural Information

Molecular Formula
C9H6F2O4
SMILES
C1=CC2=C(C=C1CC(=O)O)OC(O2)(F)F
InChI
InChI=1S/C9H6F2O4/c10-9(11)14-6-2-1-5(4-8(12)13)3-7(6)15-9/h1-3H,4H2,(H,12,13)
InChIKey
QQCFKULMRLDOEG-UHFFFAOYSA-N
Compound name
2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

216.02342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03070 138.0
[M+Na]+ 239.01264 148.3
[M-H]- 215.01614 140.7
[M+NH4]+ 234.05724 158.2
[M+K]+ 254.98658 148.1
[M+H-H2O]+ 199.02068 132.4
[M+HCOO]- 261.02162 156.3
[M+CH3COO]- 275.03727 182.2
[M+Na-2H]- 236.99809 144.9
[M]+ 216.02287 138.8
[M]- 216.02397 138.8
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