CID 43380882

1-(3-fluoro-4-methoxyphenyl)-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H8FN3O3
SMILES
COC1=C(C=C(C=C1)N2C=C(N=N2)C(=O)O)F
InChI
InChI=1S/C10H8FN3O3/c1-17-9-3-2-6(4-7(9)11)14-5-8(10(15)16)12-13-14/h2-5H,1H3,(H,15,16)
InChIKey
BYAPKRPORGVNTE-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-methoxyphenyl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.05496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06224 147.1
[M+Na]+ 260.04418 157.5
[M-H]- 236.04768 148.4
[M+NH4]+ 255.08878 162.0
[M+K]+ 276.01812 154.5
[M+H-H2O]+ 220.05222 137.9
[M+HCOO]- 282.05316 166.9
[M+CH3COO]- 296.06881 187.9
[M+Na-2H]- 258.02963 150.4
[M]+ 237.05441 148.3
[M]- 237.05551 148.3
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

No patent data available for this compound.