CID 3729763
43034-86-2
Structural Information
- Molecular Formula
- C13H11F3N2
- SMILES
- C1=CC=C(C(=C1)N)NC2=CC=CC(=C2)C(F)(F)F
- InChI
- InChI=1S/C13H11F3N2/c14-13(15,16)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)17/h1-8,18H,17H2
- InChIKey
- AWUGJXBGADQEFJ-UHFFFAOYSA-N
- Compound name
- 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 253.09471 | 152.1 |
[M+Na]+ | 275.07665 | 160.1 |
[M-H]- | 251.08015 | 154.8 |
[M+NH4]+ | 270.12125 | 168.4 |
[M+K]+ | 291.05059 | 155.0 |
[M+H-H2O]+ | 235.08469 | 142.3 |
[M+HCOO]- | 297.08563 | 173.4 |
[M+CH3COO]- | 311.10128 | 198.4 |
[M+Na-2H]- | 273.06210 | 157.8 |
[M]+ | 252.08688 | 145.3 |
[M]- | 252.08798 | 145.3 |