CID 142576207

4-(difluoromethyl)-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H7F2NO2
SMILES
C1=CC(=C2C=C(NC2=C1)C(=O)O)C(F)F
InChI
InChI=1S/C10H7F2NO2/c11-9(12)5-2-1-3-7-6(5)4-8(13-7)10(14)15/h1-4,9,13H,(H,14,15)
InChIKey
HHCHVCRDRZAOBB-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

211.04448 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.051756 139.3
[M+Na]+ 234.033698 149.4
[M-H]- 210.037204 138.2
[M+NH4]+ 229.078303 158.4
[M+K]+ 250.007638 145.0
[M+H-H2O]+ 194.041740 132.1
[M+HCOO]- 256.042681 157.8
[M+CH3COO]- 270.058331 181.6
[M+Na-2H]- 232.019146 142.8
[M]+ 211.04393142 136.9
[M]- 211.04502858 136.9
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