CID 45490100

1203393-38-7

Structural Information

Molecular Formula
C12H11F2N3O3
SMILES
C1=CC=C(C(=C1)CN2C=C(N=N2)CC(=O)O)OC(F)F
InChI
InChI=1S/C12H11F2N3O3/c13-12(14)20-10-4-2-1-3-8(10)6-17-7-9(15-16-17)5-11(18)19/h1-4,7,12H,5-6H2,(H,18,19)
InChIKey
ZOQLNCHYUJXQDH-UHFFFAOYSA-N
Compound name
2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.07684 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08412 162.0
[M+Na]+ 306.06606 171.2
[M+NH4]+ 301.11066 165.6
[M+K]+ 322.04000 169.2
[M-H]- 282.06956 158.9
[M+Na-2H]- 304.05151 165.8
[M]+ 283.07629 161.9
[M]- 283.07739 161.9
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.