CID 3056930
Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester
Structural Information
- Molecular Formula
- C9H8N2O3S
- SMILES
- COC1=C(C=C(C=C1)[N+](=O)[O-])CSC#N
- InChI
- InChI=1S/C9H8N2O3S/c1-14-9-3-2-8(11(12)13)4-7(9)5-15-6-10/h2-4H,5H2,1H3
- InChIKey
- IJNOBAXRYUVXNC-UHFFFAOYSA-N
- Compound name
- (2-methoxy-5-nitrophenyl)methyl thiocyanate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.03284 | 152.6 |
[M+Na]+ | 247.01478 | 162.2 |
[M-H]- | 223.01828 | 156.7 |
[M+NH4]+ | 242.05938 | 168.9 |
[M+K]+ | 262.98872 | 156.0 |
[M+H-H2O]+ | 207.02282 | 144.1 |
[M+HCOO]- | 269.02376 | 169.4 |
[M+CH3COO]- | 283.03941 | 194.2 |
[M+Na-2H]- | 245.00023 | 156.4 |
[M]+ | 224.02501 | 149.7 |
[M]- | 224.02611 | 149.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.