CID 43304809
3-chloro-2-[(difluoromethyl)sulfanyl]aniline hydrochloride
Structural Information
- Molecular Formula
- C7H6ClF2NS
- SMILES
- C1=CC(=C(C(=C1)Cl)SC(F)F)N
- InChI
- InChI=1S/C7H6ClF2NS/c8-4-2-1-3-5(11)6(4)12-7(9)10/h1-3,7H,11H2
- InChIKey
- HFMCWOZPNGFJGF-UHFFFAOYSA-N
- Compound name
- 3-chloro-2-(difluoromethylsulfanyl)aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 209.99503 | 134.2 |
[M+Na]+ | 231.97697 | 143.9 |
[M-H]- | 207.98047 | 135.3 |
[M+NH4]+ | 227.02157 | 154.2 |
[M+K]+ | 247.95091 | 138.7 |
[M+H-H2O]+ | 191.98501 | 128.0 |
[M+HCOO]- | 253.98595 | 146.6 |
[M+CH3COO]- | 268.00160 | 185.6 |
[M+Na-2H]- | 229.96242 | 135.4 |
[M]+ | 208.98720 | 133.6 |
[M]- | 208.98830 | 133.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.