CID 145896070
1261820-72-7
Structural Information
- Molecular Formula
- C13H9ClF3N
- SMILES
- C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC(=C2)Cl)N
- InChI
- InChI=1S/C13H9ClF3N/c14-11-5-9(6-12(18)7-11)8-2-1-3-10(4-8)13(15,16)17/h1-7H,18H2
- InChIKey
- VRAYDFYJFQTXKQ-UHFFFAOYSA-N
- Compound name
- 3-chloro-5-[3-(trifluoromethyl)phenyl]aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 272.04485 | 154.7 |
[M+Na]+ | 294.02679 | 165.3 |
[M-H]- | 270.03029 | 157.6 |
[M+NH4]+ | 289.07139 | 171.8 |
[M+K]+ | 310.00073 | 158.4 |
[M+H-H2O]+ | 254.03483 | 146.2 |
[M+HCOO]- | 316.03577 | 170.5 |
[M+CH3COO]- | 330.05142 | 198.3 |
[M+Na-2H]- | 292.01224 | 158.8 |
[M]+ | 271.03702 | 151.3 |
[M]- | 271.03812 | 151.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.