CID 11815886

3-chloro-4-methylpentan-2-one

Structural Information

Molecular Formula
C6H11ClO
SMILES
CC(C)C(C(=O)C)Cl
InChI
InChI=1S/C6H11ClO/c1-4(2)6(7)5(3)8/h4,6H,1-3H3
InChIKey
OLBUMMGFVTVKFF-UHFFFAOYSA-N
Compound name
3-chloro-4-methylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

134.04984 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05712 125.3
[M+Na]+ 157.03906 133.0
[M-H]- 133.04256 125.8
[M+NH4]+ 152.08366 148.1
[M+K]+ 173.01300 131.8
[M+H-H2O]+ 117.04710 122.3
[M+HCOO]- 179.04804 142.1
[M+CH3COO]- 193.06369 174.8
[M+Na-2H]- 155.02451 128.4
[M]+ 134.04929 127.2
[M]- 134.05039 127.2
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