CID 3159595

5-chloro-2-methyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H8ClNO
SMILES
CC1=C(C2=C(N1)C=CC(=C2)Cl)C=O
InChI
InChI=1S/C10H8ClNO/c1-6-9(5-13)8-4-7(11)2-3-10(8)12-6/h2-5,12H,1H3
InChIKey
BZODTNGMGUKGEV-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

193.02943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03671 136.9
[M+Na]+ 216.01865 149.8
[M-H]- 192.02215 139.9
[M+NH4]+ 211.06325 159.0
[M+K]+ 231.99259 143.9
[M+H-H2O]+ 176.02669 132.2
[M+HCOO]- 238.02763 156.2
[M+CH3COO]- 252.04328 151.6
[M+Na-2H]- 214.00410 143.1
[M]+ 193.02888 140.7
[M]- 193.02998 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

literature stripe

Patent stripe

patents stripe