CID 12891823

6-chloro-2,3,4,9-tetrahydro-1h-carbazol-3-ol

Structural Information

Molecular Formula
C12H12ClNO
SMILES
C1CC2=C(CC1O)C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C12H12ClNO/c13-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)14-11/h1,3,5,8,14-15H,2,4,6H2
InChIKey
RRLMGKSFHNZBGB-UHFFFAOYSA-N
Compound name
6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.06075 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.068026 145.5
[M+Na]+ 244.049968 156.2
[M-H]- 220.053474 147.3
[M+NH4]+ 239.094573 166.6
[M+K]+ 260.023908 149.2
[M+H-H2O]+ 204.058010 140.5
[M+HCOO]- 266.058951 159.4
[M+CH3COO]- 280.074601 158.1
[M+Na-2H]- 242.035416 151.1
[M]+ 221.06020142 145.0
[M]- 221.06129858 145.0
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