CID 7131356

4-(difluoromethoxy)-5-methoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H9F2NO4
SMILES
COC1=C(C2=C(C=C1)NC(=C2)C(=O)O)OC(F)F
InChI
InChI=1S/C11H9F2NO4/c1-17-8-3-2-6-5(9(8)18-11(12)13)4-7(14-6)10(15)16/h2-4,11,14H,1H3,(H,15,16)
InChIKey
KPONUKNKUYUEGQ-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-5-methoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.04996 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05724 149.4
[M+Na]+ 280.03918 159.5
[M-H]- 256.04268 148.4
[M+NH4]+ 275.08378 166.6
[M+K]+ 296.01312 156.2
[M+H-H2O]+ 240.04722 141.8
[M+HCOO]- 302.04816 167.9
[M+CH3COO]- 316.06381 190.2
[M+Na-2H]- 278.02463 151.8
[M]+ 257.04941 150.5
[M]- 257.05051 150.5
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