CID 16227825

929972-42-9

Structural Information

Molecular Formula
C12H10FNO3S
SMILES
CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C12H10FNO3S/c1-7-11(12(15)16)18-10(14-7)6-17-9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,15,16)
InChIKey
TVSJYRUIRDKGAI-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.03653 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04381 155.1
[M+Na]+ 290.02575 165.0
[M-H]- 266.02925 159.1
[M+NH4]+ 285.07035 172.3
[M+K]+ 305.99969 161.0
[M+H-H2O]+ 250.03379 147.7
[M+HCOO]- 312.03473 171.9
[M+CH3COO]- 326.05038 192.0
[M+Na-2H]- 288.01120 154.6
[M]+ 267.03598 158.5
[M]- 267.03708 158.5
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.