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

22
Patents

245.02998 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.037256 145.0
[M+Na]+ 268.019198 157.3
[M-H]- 244.022704 145.3
[M+NH4]+ 263.063803 162.6
[M+K]+ 283.993138 154.9
[M+H-H2O]+ 228.027240 137.4
[M+HCOO]- 290.028181 162.7
[M+CH3COO]- 304.043831 189.1
[M+Na-2H]- 266.004646 150.6
[M]+ 245.02943142 145.8
[M]- 245.03052858 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