CID 458217

3,5-dichloro-6-methoxy-2,4-xylic acid

Structural Information

Molecular Formula
C10H10Cl2O3
SMILES
CC1=C(C(=C(C(=C1Cl)C)Cl)OC)C(=O)O
InChI
InChI=1S/C10H10Cl2O3/c1-4-6(10(13)14)9(15-3)8(12)5(2)7(4)11/h1-3H3,(H,13,14)
InChIKey
AYSWLBFQPXURQI-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-methoxy-4,6-dimethylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00798 143.9
[M+Na]+ 270.98992 156.1
[M-H]- 246.99342 147.1
[M+NH4]+ 266.03452 163.2
[M+K]+ 286.96386 151.4
[M+H-H2O]+ 230.99796 141.3
[M+HCOO]- 292.99890 157.1
[M+CH3COO]- 307.01455 192.2
[M+Na-2H]- 268.97537 145.7
[M]+ 248.00015 150.4
[M]- 248.00125 150.4
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

No patent data available for this compound.