CID 326615

6-chloro-1,2,3,4-tetrahydrocarbazole

Structural Information

Molecular Formula
C12H12ClN
SMILES
C1CCC2=C(C1)C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C12H12ClN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2
InChIKey
CNQQPGJXOHSTQR-UHFFFAOYSA-N
Compound name
6-chloro-2,3,4,9-tetrahydro-1H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

205.06583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07311 142.3
[M+Na]+ 228.05505 152.6
[M-H]- 204.05855 145.0
[M+NH4]+ 223.09965 164.4
[M+K]+ 244.02899 145.8
[M+H-H2O]+ 188.06309 136.7
[M+HCOO]- 250.06403 157.5
[M+CH3COO]- 264.07968 155.3
[M+Na-2H]- 226.04050 148.8
[M]+ 205.06528 141.6
[M]- 205.06638 141.6
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