CID 41661

Anp 4263

Structural Information

Molecular Formula
C13H10Cl2O4S
SMILES
C1=CSC(=C1)C(C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl)O
InChI
InChI=1S/C13H10Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5,13,18H,6H2,(H,16,17)
InChIKey
RSVYIRQHLXEENT-UHFFFAOYSA-N
Compound name
2-[2,3-dichloro-4-[hydroxy(thiophen-2-yl)methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

331.96768 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.97496 166.9
[M+Na]+ 354.95690 176.1
[M-H]- 330.96040 171.7
[M+NH4]+ 350.00150 183.3
[M+K]+ 370.93084 170.1
[M+H-H2O]+ 314.96494 163.3
[M+HCOO]- 376.96588 173.9
[M+CH3COO]- 390.98153 198.4
[M+Na-2H]- 352.94235 164.6
[M]+ 331.96713 173.4
[M]- 331.96823 173.4
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

patents stripe