CID 25313242

6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C10H6F3NO3
SMILES
CC1=CC(=C2C=C(OC2=N1)C(=O)O)C(F)(F)F
InChI
InChI=1S/C10H6F3NO3/c1-4-2-6(10(11,12)13)5-3-7(9(15)16)17-8(5)14-4/h2-3H,1H3,(H,15,16)
InChIKey
VGENDFLHNFJIGW-UHFFFAOYSA-N
Compound name
6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

245.02998 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03726 153.0
[M+Na]+ 268.01920 162.4
[M+NH4]+ 263.06380 157.4
[M+K]+ 283.99314 160.6
[M-H]- 244.02270 149.4
[M+Na-2H]- 266.00465 154.8
[M]+ 245.02943 153.0
[M]- 245.03053 153.0
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