CID 4322604
Dtxsid60896229
Structural Information
- Molecular Formula
- C10H4F9N3O2S
- SMILES
- C1=CC=C2C(=C1)N=NN2S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C10H4F9N3O2S/c11-7(12,9(15,16)17)8(13,14)10(18,19)25(23,24)22-6-4-2-1-3-5(6)20-21-22/h1-4H
- InChIKey
- JBEJWIIKJQZKJL-UHFFFAOYSA-N
- Compound name
- 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzotriazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 401.99532 | 177.7 |
[M+Na]+ | 423.97726 | 190.1 |
[M-H]- | 399.98076 | 168.9 |
[M+NH4]+ | 419.02186 | 187.8 |
[M+K]+ | 439.95120 | 184.9 |
[M+H-H2O]+ | 383.98530 | 164.7 |
[M+HCOO]- | 445.98624 | 178.5 |
[M+CH3COO]- | 460.00189 | 213.9 |
[M+Na-2H]- | 421.96271 | 183.4 |
[M]+ | 400.98749 | 170.6 |
[M]- | 400.98859 | 170.6 |