CID 23526798

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

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
CC1=CC2=CC(=C(C=C2N1)Cl)C(=O)O
InChI
InChI=1S/C10H8ClNO2/c1-5-2-6-3-7(10(13)14)8(11)4-9(6)12-5/h2-4,12H,1H3,(H,13,14)
InChIKey
ZOKNNTHGXKIWSP-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

209.02435 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 140.3
[M+Na]+ 232.01357 152.3
[M-H]- 208.01707 142.1
[M+NH4]+ 227.05817 160.9
[M+K]+ 247.98751 146.5
[M+H-H2O]+ 192.02161 135.9
[M+HCOO]- 254.02255 157.3
[M+CH3COO]- 268.03820 180.3
[M+Na-2H]- 229.99902 144.9
[M]+ 209.02380 143.1
[M]- 209.02490 143.1
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