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

55
Patents

211.04448 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05176 139.3
[M+Na]+ 234.03370 149.4
[M-H]- 210.03720 138.2
[M+NH4]+ 229.07830 158.4
[M+K]+ 250.00764 145.0
[M+H-H2O]+ 194.04174 132.1
[M+HCOO]- 256.04268 157.8
[M+CH3COO]- 270.05833 181.6
[M+Na-2H]- 232.01915 142.8
[M]+ 211.04393 136.9
[M]- 211.04503 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