CID 15376480

3-(difluoromethoxy)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C6H4F2O3S
SMILES
C1=CSC(=C1OC(F)F)C(=O)O
InChI
InChI=1S/C6H4F2O3S/c7-6(8)11-3-1-2-12-4(3)5(9)10/h1-2,6H,(H,9,10)
InChIKey
ACQJRBMWSRPAPD-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

193.98492 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.992196 133.6
[M+Na]+ 216.974138 142.4
[M-H]- 192.977644 134.0
[M+NH4]+ 212.018743 154.5
[M+K]+ 232.948078 140.6
[M+H-H2O]+ 176.982180 127.1
[M+HCOO]- 238.983121 149.7
[M+CH3COO]- 252.998771 177.0
[M+Na-2H]- 214.959586 133.3
[M]+ 193.98437142 134.1
[M]- 193.98546858 134.1
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