CID 84022280

3-chloro-1h-indole-6-carbaldehyde

Structural Information

Molecular Formula
C9H6ClNO
SMILES
C1=CC2=C(C=C1C=O)NC=C2Cl
InChI
InChI=1S/C9H6ClNO/c10-8-4-11-9-3-6(5-12)1-2-7(8)9/h1-5,11H
InChIKey
LSRYMJJJLNOREL-UHFFFAOYSA-N
Compound name
3-chloro-1H-indole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

179.0138 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.021076 132.4
[M+Na]+ 202.003018 144.9
[M-H]- 178.006524 135.2
[M+NH4]+ 197.047623 154.8
[M+K]+ 217.976958 139.1
[M+H-H2O]+ 162.011060 127.6
[M+HCOO]- 224.012001 152.1
[M+CH3COO]- 238.027651 147.2
[M+Na-2H]- 199.988466 139.9
[M]+ 179.01325142 135.4
[M]- 179.01434858 135.4
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

No patent data available for this compound.