CID 57161071
4-chloro-2-(chloromethyl)thiophene
Structural Information
- Molecular Formula
- C5H4Cl2S
- SMILES
- C1=C(SC=C1Cl)CCl
- InChI
- InChI=1S/C5H4Cl2S/c6-2-5-1-4(7)3-8-5/h1,3H,2H2
- InChIKey
- JDMIRNVFANMJCV-UHFFFAOYSA-N
- Compound name
- 4-chloro-2-(chloromethyl)thiophene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 166.94835 | 128.5 |
[M+Na]+ | 188.93029 | 139.8 |
[M-H]- | 164.93379 | 132.5 |
[M+NH4]+ | 183.97489 | 152.9 |
[M+K]+ | 204.90423 | 135.1 |
[M+H-H2O]+ | 148.93833 | 125.7 |
[M+HCOO]- | 210.93927 | 139.9 |
[M+CH3COO]- | 224.95492 | 173.5 |
[M+Na-2H]- | 186.91574 | 130.8 |
[M]+ | 165.94052 | 132.6 |
[M]- | 165.94162 | 132.6 |
Literature stripe
No literature data available for this compound.