CID 18801627

7-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/c1-6-8(5-13)7-3-2-4-9(11)10(7)12-6/h2-5,12H,1H3
InChIKey
RWGLFHTTZBZNMZ-UHFFFAOYSA-N
Compound name
7-chloro-2-methyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe