CID 75954

2-ethylbutyryl chloride

Structural Information

Molecular Formula
C6H11ClO
SMILES
CCC(CC)C(=O)Cl
InChI
InChI=1S/C6H11ClO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3
InChIKey
SMUKODJVMQOSAB-UHFFFAOYSA-N
Compound name
2-ethylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2089
Patents

134.04984 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05712 125.7
[M+Na]+ 157.03906 133.6
[M-H]- 133.04256 126.1
[M+NH4]+ 152.08366 148.6
[M+K]+ 173.01300 132.0
[M+H-H2O]+ 117.04710 122.6
[M+HCOO]- 179.04804 143.5
[M+CH3COO]- 193.06369 173.9
[M+Na-2H]- 155.02451 130.1
[M]+ 134.04929 128.3
[M]- 134.05039 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe