CID 57848
100427-81-4
Structural Information
- Molecular Formula
- C12H17Cl2N
- SMILES
- CC(C1=CC=CC=C1)N(CCCl)CCCl
- InChI
- InChI=1S/C12H17Cl2N/c1-11(12-5-3-2-4-6-12)15(9-7-13)10-8-14/h2-6,11H,7-10H2,1H3
- InChIKey
- HWSWARRLYBPFJT-UHFFFAOYSA-N
- Compound name
- N,N-bis(2-chloroethyl)-1-phenylethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 246.08108 | 155.0 |
[M+Na]+ | 268.06302 | 161.3 |
[M-H]- | 244.06652 | 158.4 |
[M+NH4]+ | 263.10762 | 173.8 |
[M+K]+ | 284.03696 | 156.7 |
[M+H-H2O]+ | 228.07106 | 149.7 |
[M+HCOO]- | 290.07200 | 169.3 |
[M+CH3COO]- | 304.08765 | 197.9 |
[M+Na-2H]- | 266.04847 | 158.5 |
[M]+ | 245.07325 | 159.0 |
[M]- | 245.07435 | 159.0 |
Literature stripe
No literature data available for this compound.