CID 22338227

7-fluoro-4-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8FNO2
SMILES
CC1=C2C=C(NC2=C(C=C1)F)C(=O)O
InChI
InChI=1S/C10H8FNO2/c1-5-2-3-7(11)9-6(5)4-8(12-9)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
UCKJVDCMLHZATQ-UHFFFAOYSA-N
Compound name
7-fluoro-4-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

193.05391 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.061186 136.4
[M+Na]+ 216.043128 147.7
[M-H]- 192.046634 137.0
[M+NH4]+ 211.087733 156.7
[M+K]+ 232.017068 143.3
[M+H-H2O]+ 176.051170 130.3
[M+HCOO]- 238.052111 157.0
[M+CH3COO]- 252.067761 179.2
[M+Na-2H]- 214.028576 140.9
[M]+ 193.05336142 136.1
[M]- 193.05445858 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

No literature data available for this compound.

Patent stripe

patents stripe