CID 15290317

3-chloro-1-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
CN1C2=CC=CC=C2C(=C1C(=O)O)Cl
InChI
InChI=1S/C10H8ClNO2/c1-12-7-5-3-2-4-6(7)8(11)9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChIKey
PJHFELNJKKGZHO-UHFFFAOYSA-N
Compound name
3-chloro-1-methylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

209.02435 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 139.5
[M+Na]+ 232.01357 154.1
[M+NH4]+ 227.05817 148.2
[M+K]+ 247.98751 149.3
[M-H]- 208.01707 140.7
[M+Na-2H]- 229.99902 145.5
[M]+ 209.02380 142.1
[M]- 209.02490 142.1
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