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

61
Patents

193.98492 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.99220 133.6
[M+Na]+ 216.97414 142.4
[M-H]- 192.97764 134.0
[M+NH4]+ 212.01874 154.5
[M+K]+ 232.94808 140.6
[M+H-H2O]+ 176.98218 127.1
[M+HCOO]- 238.98312 149.7
[M+CH3COO]- 252.99877 177.0
[M+Na-2H]- 214.95959 133.3
[M]+ 193.98437 134.0
[M]- 193.98547 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