CID 105464704

5,7-difluoro-3-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H7F2NO2
SMILES
CC1=C(NC2=C1C=C(C=C2F)F)C(=O)O
InChI
InChI=1S/C10H7F2NO2/c1-4-6-2-5(11)3-7(12)9(6)13-8(4)10(14)15/h2-3,13H,1H3,(H,14,15)
InChIKey
RUTGKPKMHWIMFA-UHFFFAOYSA-N
Compound name
5,7-difluoro-3-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.6
[M+Na]+ 234.03370 150.8
[M-H]- 210.03720 138.2
[M+NH4]+ 229.07830 158.4
[M+K]+ 250.00764 146.0
[M+H-H2O]+ 194.04174 131.8
[M+HCOO]- 256.04268 158.1
[M+CH3COO]- 270.05833 183.2
[M+Na-2H]- 232.01915 141.9
[M]+ 211.04393 137.6
[M]- 211.04503 137.6
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

No patent data available for this compound.