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 145.0
[M+Na]+ 268.01920 157.3
[M-H]- 244.02270 145.3
[M+NH4]+ 263.06380 162.6
[M+K]+ 283.99314 154.9
[M+H-H2O]+ 228.02724 137.4
[M+HCOO]- 290.02818 162.7
[M+CH3COO]- 304.04383 189.1
[M+Na-2H]- 266.00465 150.6
[M]+ 245.02943 145.8
[M]- 245.03053 145.8
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