CID 20454075

2-(5-chloro-1h-indol-2-yl)acetic acid

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1=CC2=C(C=C1Cl)C=C(N2)CC(=O)O
InChI
InChI=1S/C10H8ClNO2/c11-7-1-2-9-6(3-7)4-8(12-9)5-10(13)14/h1-4,12H,5H2,(H,13,14)
InChIKey
AKEXCWHQCBKPQG-UHFFFAOYSA-N
Compound name
2-(5-chloro-1H-indol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

209.02435 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 140.5
[M+Na]+ 232.013568 151.6
[M-H]- 208.017074 141.9
[M+NH4]+ 227.058173 160.8
[M+K]+ 247.987508 145.8
[M+H-H2O]+ 192.021610 135.8
[M+HCOO]- 254.022551 157.6
[M+CH3COO]- 268.038201 179.1
[M+Na-2H]- 229.999016 145.9
[M]+ 209.02380142 142.9
[M]- 209.02489858 142.9
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