CID 84130076

522646-45-3

Structural Information

Molecular Formula
C10H8FN3O2
SMILES
CN1N=C(C(=N1)C(=O)O)C2=CC=CC=C2F
InChI
InChI=1S/C10H8FN3O2/c1-14-12-8(9(13-14)10(15)16)6-4-2-3-5-7(6)11/h2-5H,1H3,(H,15,16)
InChIKey
MMJUKEPHNDPIKQ-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-2-methyltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06006 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.067336 144.4
[M+Na]+ 244.049278 155.0
[M-H]- 220.052784 145.7
[M+NH4]+ 239.093883 160.0
[M+K]+ 260.023218 151.4
[M+H-H2O]+ 204.057320 135.4
[M+HCOO]- 266.058261 164.0
[M+CH3COO]- 280.073911 185.8
[M+Na-2H]- 242.034726 147.6
[M]+ 221.05951142 144.2
[M]- 221.06060858 144.2
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.