CID 3067320

Pyrano(2,3-g)indole, 1,7,8,9-tetrahydro-5-chloro-

Structural Information

Molecular Formula
C11H10ClNO
SMILES
C1CC2=C3C(=CC(=C2OC1)Cl)C=CN3
InChI
InChI=1S/C11H10ClNO/c12-9-6-7-3-4-13-10(7)8-2-1-5-14-11(8)9/h3-4,6,13H,1-2,5H2
InChIKey
MAWNRTTWMXSRDS-UHFFFAOYSA-N
Compound name
5-chloro-1,7,8,9-tetrahydropyrano[2,3-g]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

207.04509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05237 140.5
[M+Na]+ 230.03431 151.2
[M-H]- 206.03781 144.0
[M+NH4]+ 225.07891 161.2
[M+K]+ 246.00825 146.2
[M+H-H2O]+ 190.04235 135.1
[M+HCOO]- 252.04329 155.2
[M+CH3COO]- 266.05894 153.9
[M+Na-2H]- 228.01976 148.2
[M]+ 207.04454 141.5
[M]- 207.04564 141.5
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