CID 43651969

2,2-difluoro-2-(3-formylphenoxy)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

216.02342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03070 138.9
[M+Na]+ 239.01264 147.4
[M-H]- 215.01614 139.0
[M+NH4]+ 234.05724 156.6
[M+K]+ 254.98658 145.6
[M+H-H2O]+ 199.02068 131.9
[M+HCOO]- 261.02162 158.6
[M+CH3COO]- 275.03727 182.8
[M+Na-2H]- 236.99809 144.4
[M]+ 216.02287 138.2
[M]- 216.02397 138.2
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