CID 60675868

5107-00-6

Structural Information

Molecular Formula
C10H9ClO3
SMILES
C=CCOC1=C(C=CC(=C1)Cl)C(=O)O
InChI
InChI=1S/C10H9ClO3/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h2-4,6H,1,5H2,(H,12,13)
InChIKey
ULENZBGIJCMPGD-UHFFFAOYSA-N
Compound name
4-chloro-2-prop-2-enoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.02402 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.031296 140.2
[M+Na]+ 235.013238 149.7
[M-H]- 211.016744 143.0
[M+NH4]+ 230.057843 159.5
[M+K]+ 250.987178 145.5
[M+H-H2O]+ 195.021280 135.9
[M+HCOO]- 257.022221 158.6
[M+CH3COO]- 271.037871 183.0
[M+Na-2H]- 232.998686 144.5
[M]+ 212.02347142 143.8
[M]- 212.02456858 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe