CID 43380109

2-amino-5-(difluoromethoxy)-4-methoxybenzoic acid

Structural Information

Molecular Formula
C9H9F2NO4
SMILES
COC1=C(C=C(C(=C1)N)C(=O)O)OC(F)F
InChI
InChI=1S/C9H9F2NO4/c1-15-6-3-5(12)4(8(13)14)2-7(6)16-9(10)11/h2-3,9H,12H2,1H3,(H,13,14)
InChIKey
NMVWLHHXAMIXCH-UHFFFAOYSA-N
Compound name
2-amino-5-(difluoromethoxy)-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.04996 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05724 148.1
[M+Na]+ 256.03918 156.2
[M+NH4]+ 251.08378 152.6
[M+K]+ 272.01312 153.5
[M-H]- 232.04268 145.2
[M+Na-2H]- 254.02463 150.3
[M]+ 233.04941 147.9
[M]- 233.05051 147.9
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