CID 5125273

2,2-difluoro-2-(trifluoromethoxy)acetic acid

Structural Information

Molecular Formula
C3HF5O3
SMILES
C(=O)(C(OC(F)(F)F)(F)F)O
InChI
InChI=1S/C3HF5O3/c4-2(5,1(9)10)11-3(6,7)8/h(H,9,10)
InChIKey
IHYMJUVQLSNPPP-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(trifluoromethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

37
Patents

179.98459 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.99187 124.5
[M+Na]+ 202.97381 133.7
[M-H]- 178.97731 117.7
[M+NH4]+ 198.01841 143.6
[M+K]+ 218.94775 133.3
[M+H-H2O]+ 162.98185 117.1
[M+HCOO]- 224.98279 139.3
[M+CH3COO]- 238.99844 175.6
[M+Na-2H]- 200.95926 130.2
[M]+ 179.98404 118.2
[M]- 179.98514 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe