CID 154878833

2470435-91-5

Structural Information

Molecular Formula
C9H9F2NO3
SMILES
C1=CC(=CC(=C1)OC(CN)(F)F)C(=O)O
InChI
InChI=1S/C9H9F2NO3/c10-9(11,5-12)15-7-3-1-2-6(4-7)8(13)14/h1-4H,5,12H2,(H,13,14)
InChIKey
HQIOKRGDKCVWIN-UHFFFAOYSA-N
Compound name
3-(2-amino-1,1-difluoroethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.05505 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06233 142.1
[M+Na]+ 240.04427 149.4
[M-H]- 216.04777 141.4
[M+NH4]+ 235.08887 159.2
[M+K]+ 256.01821 147.2
[M+H-H2O]+ 200.05231 134.7
[M+HCOO]- 262.05325 161.6
[M+CH3COO]- 276.06890 186.0
[M+Na-2H]- 238.02972 146.6
[M]+ 217.05450 138.8
[M]- 217.05560 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

No patent data available for this compound.