CID 3159706

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

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H8ClNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
LSDWHXDEMCMQHP-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

209.02435 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 140.0
[M+Na]+ 232.01357 154.1
[M+NH4]+ 227.05817 148.4
[M+K]+ 247.98751 149.6
[M-H]- 208.01707 140.7
[M+Na-2H]- 229.99902 145.4
[M]+ 209.02380 142.4
[M]- 209.02490 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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