CID 697705

72220-50-9

Structural Information

Molecular Formula
C9H7F3O4
SMILES
C1=CC(=CC=C1OCC(=O)O)OC(F)(F)F
InChI
InChI=1S/C9H7F3O4/c10-9(11,12)16-7-3-1-6(2-4-7)15-5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey
QHSBEEUEIRDHCD-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethoxy)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

236.02965 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03693 143.3
[M+Na]+ 259.01887 151.6
[M-H]- 235.02237 142.0
[M+NH4]+ 254.06347 160.2
[M+K]+ 274.99281 150.0
[M+H-H2O]+ 219.02691 135.2
[M+HCOO]- 281.02785 161.7
[M+CH3COO]- 295.04350 185.9
[M+Na-2H]- 257.00432 148.2
[M]+ 236.02910 142.0
[M]- 236.03020 142.0
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