CID 12329430

1-(2-chlorophenyl)butan-1-one

Structural Information

Molecular Formula
C10H11ClO
SMILES
CCCC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C10H11ClO/c1-2-5-10(12)8-6-3-4-7-9(8)11/h3-4,6-7H,2,5H2,1H3
InChIKey
FDPBBAUOCMWIAO-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

182.04984 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05712 135.8
[M+Na]+ 205.03906 144.6
[M-H]- 181.04256 139.5
[M+NH4]+ 200.08366 156.9
[M+K]+ 221.01300 140.8
[M+H-H2O]+ 165.04710 131.2
[M+HCOO]- 227.04804 155.0
[M+CH3COO]- 241.06369 181.3
[M+Na-2H]- 203.02451 141.2
[M]+ 182.04929 138.6
[M]- 182.05039 138.6
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