CID 16228099

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 144.4
[M+Na]+ 256.03918 152.9
[M-H]- 232.04268 144.3
[M+NH4]+ 251.08378 161.3
[M+K]+ 272.01312 151.4
[M+H-H2O]+ 216.04722 136.7
[M+HCOO]- 278.04816 164.8
[M+CH3COO]- 292.06381 191.3
[M+Na-2H]- 254.02463 145.6
[M]+ 233.04941 143.3
[M]- 233.05051 143.3
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