CID 22139020

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

Structural Information

Molecular Formula
C10H8ClNO
SMILES
CN1C=C(C2=C1C=C(C=C2)Cl)C=O
InChI
InChI=1S/C10H8ClNO/c1-12-5-7(6-13)9-3-2-8(11)4-10(9)12/h2-6H,1H3
InChIKey
ZPCNJRXHEZRJSU-UHFFFAOYSA-N
Compound name
6-chloro-1-methylindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

193.02943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03671 136.4
[M+Na]+ 216.01865 149.7
[M-H]- 192.02215 140.8
[M+NH4]+ 211.06325 159.2
[M+K]+ 231.99259 144.7
[M+H-H2O]+ 176.02669 131.3
[M+HCOO]- 238.02763 157.2
[M+CH3COO]- 252.04328 182.5
[M+Na-2H]- 214.00410 143.0
[M]+ 193.02888 142.0
[M]- 193.02998 142.0
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