CID 12466591

7379-14-8

Structural Information

Molecular Formula
C5H7ClO
SMILES
C1CC1C(=O)CCl
InChI
InChI=1S/C5H7ClO/c6-3-5(7)4-1-2-4/h4H,1-3H2
InChIKey
ZXWAHROJUXWVCU-UHFFFAOYSA-N
Compound name
2-chloro-1-cyclopropylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

118.01854 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.025816 118.9
[M+Na]+ 141.007758 129.0
[M-H]- 117.011264 123.6
[M+NH4]+ 136.052363 137.3
[M+K]+ 156.981698 126.3
[M+H-H2O]+ 101.015800 114.4
[M+HCOO]- 163.016741 138.5
[M+CH3COO]- 177.032391 172.3
[M+Na-2H]- 138.993206 125.6
[M]+ 118.01799142 122.7
[M]- 118.01908858 122.7
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