CID 7131351

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

Structural Information

Molecular Formula
C10H7F2NO3
SMILES
C1=CC2=C(C=C(N2)C(=O)O)C(=C1)OC(F)F
InChI
InChI=1S/C10H7F2NO3/c11-10(12)16-8-3-1-2-6-5(8)4-7(13-6)9(14)15/h1-4,10,13H,(H,14,15)
InChIKey
XGOYZKXAIYPMPZ-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

227.0394 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04668 142.2
[M+Na]+ 250.02862 152.0
[M-H]- 226.03212 141.0
[M+NH4]+ 245.07322 160.5
[M+K]+ 266.00256 148.3
[M+H-H2O]+ 210.03666 134.7
[M+HCOO]- 272.03760 160.9
[M+CH3COO]- 286.05325 183.8
[M+Na-2H]- 248.01407 145.7
[M]+ 227.03885 141.2
[M]- 227.03995 141.2
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