CID 2398458

51679-46-0

Structural Information

Molecular Formula
C14H11F2NO3
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)OC(F)F
InChI
InChI=1S/C14H11F2NO3/c15-14(16)20-10-7-5-9(6-8-10)17-12-4-2-1-3-11(12)13(18)19/h1-8,14,17H,(H,18,19)
InChIKey
VATLFRMTHALRQT-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

279.0707 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07798 158.4
[M+Na]+ 302.05992 165.1
[M-H]- 278.06342 161.3
[M+NH4]+ 297.10452 172.9
[M+K]+ 318.03386 161.6
[M+H-H2O]+ 262.06796 149.0
[M+HCOO]- 324.06890 179.0
[M+CH3COO]- 338.08455 199.3
[M+Na-2H]- 300.04537 161.3
[M]+ 279.07015 155.8
[M]- 279.07125 155.8
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

No patent data available for this compound.