CID 54537559

1-chloro-3,3-difluorobutan-2-one

Structural Information

Molecular Formula
C4H5ClF2O
SMILES
CC(C(=O)CCl)(F)F
InChI
InChI=1S/C4H5ClF2O/c1-4(6,7)3(8)2-5/h2H2,1H3
InChIKey
ZAWGWKFYGOXHKD-UHFFFAOYSA-N
Compound name
1-chloro-3,3-difluorobutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

141.9997 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.00698 120.0
[M+Na]+ 164.98892 129.4
[M-H]- 140.99242 118.2
[M+NH4]+ 160.03352 142.5
[M+K]+ 180.96286 127.4
[M+H-H2O]+ 124.99696 115.8
[M+HCOO]- 186.99790 135.8
[M+CH3COO]- 201.01355 172.8
[M+Na-2H]- 162.97437 126.2
[M]+ 141.99915 119.6
[M]- 142.00025 119.6
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