CID 13720928

1-chloro-4-methylpentan-2-one

Structural Information

Molecular Formula
C6H11ClO
SMILES
CC(C)CC(=O)CCl
InChI
InChI=1S/C6H11ClO/c1-5(2)3-6(8)4-7/h5H,3-4H2,1-2H3
InChIKey
QVMRSFQXWJGXRL-UHFFFAOYSA-N
Compound name
1-chloro-4-methylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

134.04984 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05712 125.6
[M+Na]+ 157.03906 136.9
[M+NH4]+ 152.08366 134.2
[M+K]+ 173.01300 131.2
[M-H]- 133.04256 125.2
[M+Na-2H]- 155.02451 129.7
[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