CID 3056891

P-osellinic acid, 3,5-dichloro-

Structural Information

Molecular Formula

C₈H₆Cl₂O₄

SMILES

CC1=C(C(=C(C(=C1Cl)O)C(=O)O)O)Cl

InChI

InChI=1S/C8H6Cl2O4/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h11-12H,1H3,(H,13,14)

InChIKey

FFCAQFQHJFUVPZ-UHFFFAOYSA-N

Compound name

3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 235.96431 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.97159	138.2
[M+Na]+	258.95353	150.3
[M-H]-	234.95703	139.1
[M+NH4]+	253.99813	156.4
[M+K]+	274.92747	145.0
[M+H-H2O]+	218.96157	136.5
[M+HCOO]-	280.96251	149.4
[M+CH3COO]-	294.97816	183.8
[M+Na-2H]-	256.93898	140.2
[M]+	235.96376	141.8
[M]-	235.96486	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe