CID 169999

38103-07-0

Structural Information

Molecular Formula
C9H9ClO4
SMILES
CC1=CC(=C(C(=C1C(=O)OC)O)Cl)O
InChI
InChI=1S/C9H9ClO4/c1-4-3-5(11)7(10)8(12)6(4)9(13)14-2/h3,11-12H,1-2H3
InChIKey
IDVMSOLGOULRNA-UHFFFAOYSA-N
Compound name
methyl 3-chloro-2,4-dihydroxy-6-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

216.01894 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02622 140.6
[M+Na]+ 239.00816 153.7
[M+NH4]+ 234.05276 147.8
[M+K]+ 254.98210 149.0
[M-H]- 215.01166 140.8
[M+Na-2H]- 236.99361 145.2
[M]+ 216.01839 142.7
[M]- 216.01949 142.7
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