CID 1843886

2-allyloxy-5-chloro-benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

10
Patents

212.02402 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03130 140.2
[M+Na]+ 235.01324 149.7
[M-H]- 211.01674 143.0
[M+NH4]+ 230.05784 159.5
[M+K]+ 250.98718 145.5
[M+H-H2O]+ 195.02128 135.9
[M+HCOO]- 257.02222 158.6
[M+CH3COO]- 271.03787 183.0
[M+Na-2H]- 232.99869 144.5
[M]+ 212.02347 143.8
[M]- 212.02457 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

literature stripe

Patent stripe

patents stripe