CID 39237509

1-(4-chlorophenyl)butan-2-one

Structural Information

Molecular Formula
C10H11ClO
SMILES
CCC(=O)CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H11ClO/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKey
MIRNHGCBMVDSEI-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

182.04984 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.057116 135.8
[M+Na]+ 205.039058 144.6
[M-H]- 181.042564 139.5
[M+NH4]+ 200.083663 156.9
[M+K]+ 221.012998 140.8
[M+H-H2O]+ 165.047100 131.2
[M+HCOO]- 227.048041 155.0
[M+CH3COO]- 241.063691 181.3
[M+Na-2H]- 203.024506 141.2
[M]+ 182.04929142 138.6
[M]- 182.05038858 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