CID 43145918

1-[4-(difluoromethoxy)phenyl]-5-methyl-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H9F2N3O3
SMILES
CC1=C(N=NN1C2=CC=C(C=C2)OC(F)F)C(=O)O
InChI
InChI=1S/C11H9F2N3O3/c1-6-9(10(17)18)14-15-16(6)7-2-4-8(5-3-7)19-11(12)13/h2-5,11H,1H3,(H,17,18)
InChIKey
GWJAQUCLJNJITA-UHFFFAOYSA-N
Compound name
1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0612 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06848 158.3
[M+Na]+ 292.05042 168.1
[M+NH4]+ 287.09502 162.1
[M+K]+ 308.02436 166.4
[M-H]- 268.05392 155.3
[M+Na-2H]- 290.03587 162.1
[M]+ 269.06065 158.3
[M]- 269.06175 158.3
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.