CID 1132967

5-fluoro-3-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8FNO2
SMILES
CC1=C(NC2=C1C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H8FNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
XNWVWEWWPNKNJX-UHFFFAOYSA-N
Compound name
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

193.05391 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06119 136.4
[M+Na]+ 216.04313 147.7
[M-H]- 192.04663 137.0
[M+NH4]+ 211.08773 156.7
[M+K]+ 232.01707 143.3
[M+H-H2O]+ 176.05117 130.3
[M+HCOO]- 238.05211 157.0
[M+CH3COO]- 252.06776 179.2
[M+Na-2H]- 214.02858 140.9
[M]+ 193.05336 136.1
[M]- 193.05446 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe