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

91
Patents

118.01854 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02582 118.9
[M+Na]+ 141.00776 129.0
[M-H]- 117.01126 123.6
[M+NH4]+ 136.05236 137.3
[M+K]+ 156.98170 126.3
[M+H-H2O]+ 101.01580 114.4
[M+HCOO]- 163.01674 138.5
[M+CH3COO]- 177.03239 172.3
[M+Na-2H]- 138.99321 125.6
[M]+ 118.01799 122.7
[M]- 118.01909 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