CID 22716778
217448-86-7
Structural Information
- Molecular Formula
- C11H9F2N3O2
- SMILES
- COC(=O)C1=CN(N=N1)CC2=C(C=CC=C2F)F
- InChI
- InChI=1S/C11H9F2N3O2/c1-18-11(17)10-6-16(15-14-10)5-7-8(12)3-2-4-9(7)13/h2-4,6H,5H2,1H3
- InChIKey
- XVEURJOWGBWEPY-UHFFFAOYSA-N
- Compound name
- methyl 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 254.07356 | 151.1 |
[M+Na]+ | 276.05550 | 161.7 |
[M-H]- | 252.05900 | 152.1 |
[M+NH4]+ | 271.10010 | 166.1 |
[M+K]+ | 292.02944 | 158.2 |
[M+H-H2O]+ | 236.06354 | 140.5 |
[M+HCOO]- | 298.06448 | 170.7 |
[M+CH3COO]- | 312.08013 | 193.3 |
[M+Na-2H]- | 274.04095 | 153.6 |
[M]+ | 253.06573 | 151.9 |
[M]- | 253.06683 | 151.9 |