CID 129940961

1273596-31-8

Structural Information

Molecular Formula
C10H8Cl2O
SMILES
C1CC2=C(C(=O)C1)C(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H8Cl2O/c11-7-5-4-6-2-1-3-8(13)9(6)10(7)12/h4-5H,1-3H2
InChIKey
QPKLHUCBDKDHIK-UHFFFAOYSA-N
Compound name
7,8-dichloro-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.99522 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00250 139.5
[M+Na]+ 236.98444 150.1
[M-H]- 212.98794 143.5
[M+NH4]+ 232.02904 161.0
[M+K]+ 252.95838 144.4
[M+H-H2O]+ 196.99248 135.8
[M+HCOO]- 258.99342 151.5
[M+CH3COO]- 273.00907 185.6
[M+Na-2H]- 234.96989 145.1
[M]+ 213.99467 140.7
[M]- 213.99577 140.7
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.