CID 165739371

(7-chloro-2,3-dihydro-1h-inden-4-yl)methanol

Structural Information

Molecular Formula
C10H11ClO
SMILES
C1CC2=C(C=CC(=C2C1)Cl)CO
InChI
InChI=1S/C10H11ClO/c11-10-5-4-7(6-12)8-2-1-3-9(8)10/h4-5,12H,1-3,6H2
InChIKey
BUGSVTAEDOIRKR-UHFFFAOYSA-N
Compound name
(7-chloro-2,3-dihydro-1H-inden-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.04984 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.057116 137.1
[M+Na]+ 205.039058 146.8
[M-H]- 181.042564 140.5
[M+NH4]+ 200.083663 160.6
[M+K]+ 221.012998 141.8
[M+H-H2O]+ 165.047100 133.2
[M+HCOO]- 227.048041 154.7
[M+CH3COO]- 241.063691 177.6
[M+Na-2H]- 203.024506 142.1
[M]+ 182.04929142 137.8
[M]- 182.05038858 137.8
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

No patent data available for this compound.