CID 14401887
Cyanic acid, c,c'-((2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)di-4,1-phenylene) ester
Structural Information
- Molecular Formula
- C17H8F6N2O2
- SMILES
- C1=CC(=CC=C1C(C2=CC=C(C=C2)OC#N)(C(F)(F)F)C(F)(F)F)OC#N
- InChI
- InChI=1S/C17H8F6N2O2/c18-16(19,20)15(17(21,22)23,11-1-5-13(6-2-11)26-9-24)12-3-7-14(8-4-12)27-10-25/h1-8H
- InChIKey
- INHGSGHLQLYYND-UHFFFAOYSA-N
- Compound name
- [4-[2-(4-cyanatophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] cyanate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 387.05628 | 184.6 |
[M+Na]+ | 409.03822 | 193.7 |
[M-H]- | 385.04172 | 183.3 |
[M+NH4]+ | 404.08282 | 191.2 |
[M+K]+ | 425.01216 | 188.7 |
[M+H-H2O]+ | 369.04626 | 165.2 |
[M+HCOO]- | 431.04720 | 189.8 |
[M+CH3COO]- | 445.06285 | 236.4 |
[M+Na-2H]- | 407.02367 | 184.8 |
[M]+ | 386.04845 | 171.9 |
[M]- | 386.04955 | 171.9 |