CID 129960347
4-chloro-2-isocyanato-1-(trifluoromethoxy)benzene
Structural Information
- Molecular Formula
- C8H3ClF3NO2
- SMILES
- C1=CC(=C(C=C1Cl)N=C=O)OC(F)(F)F
- InChI
- InChI=1S/C8H3ClF3NO2/c9-5-1-2-7(15-8(10,11)12)6(3-5)13-4-14/h1-3H
- InChIKey
- CRFWZCXOLOSXFK-UHFFFAOYSA-N
- Compound name
- 4-chloro-2-isocyanato-1-(trifluoromethoxy)benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 237.98772 | 140.0 |
[M+Na]+ | 259.96966 | 151.3 |
[M-H]- | 235.97316 | 141.8 |
[M+NH4]+ | 255.01426 | 159.4 |
[M+K]+ | 275.94360 | 147.4 |
[M+H-H2O]+ | 219.97770 | 132.6 |
[M+HCOO]- | 281.97864 | 159.0 |
[M+CH3COO]- | 295.99429 | 191.4 |
[M+Na-2H]- | 257.95511 | 146.7 |
[M]+ | 236.97989 | 140.8 |
[M]- | 236.98099 | 140.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.