CID 54537559
1-chloro-3,3-difluorobutan-2-one
Structural Information
- Molecular Formula
- C4H5ClF2O
- SMILES
- CC(C(=O)CCl)(F)F
- InChI
- InChI=1S/C4H5ClF2O/c1-4(6,7)3(8)2-5/h2H2,1H3
- InChIKey
- ZAWGWKFYGOXHKD-UHFFFAOYSA-N
- Compound name
- 1-chloro-3,3-difluorobutan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 143.00698 | 120.0 |
[M+Na]+ | 164.98892 | 129.4 |
[M-H]- | 140.99242 | 118.2 |
[M+NH4]+ | 160.03352 | 142.5 |
[M+K]+ | 180.96286 | 127.4 |
[M+H-H2O]+ | 124.99696 | 115.8 |
[M+HCOO]- | 186.99790 | 135.8 |
[M+CH3COO]- | 201.01355 | 172.8 |
[M+Na-2H]- | 162.97437 | 126.2 |
[M]+ | 141.99915 | 119.6 |
[M]- | 142.00025 | 119.6 |