CID 71303733

5-chloro-7-methyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H8ClNO
SMILES
CC1=CC(=CC2=C1NC=C2C=O)Cl
InChI
InChI=1S/C10H8ClNO/c1-6-2-8(11)3-9-7(5-13)4-12-10(6)9/h2-5,12H,1H3
InChIKey
UTPKFSUXDCWZKF-UHFFFAOYSA-N
Compound name
5-chloro-7-methyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

193.02943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.036706 136.9
[M+Na]+ 216.018648 149.8
[M-H]- 192.022154 139.9
[M+NH4]+ 211.063253 159.0
[M+K]+ 231.992588 143.9
[M+H-H2O]+ 176.026690 132.2
[M+HCOO]- 238.027631 156.2
[M+CH3COO]- 252.043281 151.6
[M+Na-2H]- 214.004096 143.1
[M]+ 193.02888142 140.7
[M]- 193.02997858 140.7
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