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

4
Patents

221.06075 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06803 145.5
[M+Na]+ 244.04997 156.2
[M-H]- 220.05347 147.3
[M+NH4]+ 239.09457 166.6
[M+K]+ 260.02391 149.2
[M+H-H2O]+ 204.05801 140.5
[M+HCOO]- 266.05895 159.4
[M+CH3COO]- 280.07460 158.1
[M+Na-2H]- 242.03542 151.1
[M]+ 221.06020 145.0
[M]- 221.06130 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