CID 155820218

2567504-70-3

Structural Information

Molecular Formula
C9H7F4NO3
SMILES
C1=CC(=C(C=C1C(=O)O)N)OC(C(F)F)(F)F
InChI
InChI=1S/C9H7F4NO3/c10-8(11)9(12,13)17-6-2-1-4(7(15)16)3-5(6)14/h1-3,8H,14H2,(H,15,16)
InChIKey
ZNQPGWHKJJSZQI-UHFFFAOYSA-N
Compound name
3-amino-4-(1,1,2,2-tetrafluoroethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.03621 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04349 146.9
[M+Na]+ 276.02543 155.1
[M-H]- 252.02893 144.0
[M+NH4]+ 271.07003 162.6
[M+K]+ 291.99937 152.6
[M+H-H2O]+ 236.03347 137.9
[M+HCOO]- 298.03441 163.3
[M+CH3COO]- 312.05006 193.9
[M+Na-2H]- 274.01088 148.4
[M]+ 253.03566 140.9
[M]- 253.03676 140.9
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

No patent data available for this compound.