CID 23075515
(4-chloro-phenyl)-prop-2-ynyloxy-acetic acid
Structural Information
- Molecular Formula
- C11H9ClO3
- SMILES
- C#CCOC(C1=CC=C(C=C1)Cl)C(=O)O
- InChI
- InChI=1S/C11H9ClO3/c1-2-7-15-10(11(13)14)8-3-5-9(12)6-4-8/h1,3-6,10H,7H2,(H,13,14)
- InChIKey
- UODLIGAEPGYRCI-UHFFFAOYSA-N
- Compound name
- 2-(4-chlorophenyl)-2-prop-2-ynoxyacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.03130 | 146.3 |
[M+Na]+ | 247.01324 | 156.8 |
[M-H]- | 223.01674 | 147.5 |
[M+NH4]+ | 242.05784 | 162.7 |
[M+K]+ | 262.98718 | 151.5 |
[M+H-H2O]+ | 207.02128 | 135.8 |
[M+HCOO]- | 269.02222 | 158.3 |
[M+CH3COO]- | 283.03787 | 192.7 |
[M+Na-2H]- | 244.99869 | 148.8 |
[M]+ | 224.02347 | 143.6 |
[M]- | 224.02457 | 143.6 |