CID 2774127

2-(4-(difluoromethoxy)phenyl)acetic acid

Structural Information

Molecular Formula
C9H8F2O3
SMILES
C1=CC(=CC=C1CC(=O)O)OC(F)F
InChI
InChI=1S/C9H8F2O3/c10-9(11)14-7-3-1-6(2-4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChIKey
QAIYQXXEMHGUNB-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

202.04414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05142 137.8
[M+Na]+ 225.03336 145.5
[M-H]- 201.03686 137.6
[M+NH4]+ 220.07796 156.1
[M+K]+ 241.00730 143.7
[M+H-H2O]+ 185.04140 130.4
[M+HCOO]- 247.04234 157.6
[M+CH3COO]- 261.05799 182.2
[M+Na-2H]- 223.01881 141.2
[M]+ 202.04359 136.3
[M]- 202.04469 136.3
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