CID 13159610

1-chloro-1,1-difluoropropan-2-one

Structural Information

Molecular Formula
C3H3ClF2O
SMILES
CC(=O)C(F)(F)Cl
InChI
InChI=1S/C3H3ClF2O/c1-2(7)3(4,5)6/h1H3
InChIKey
UMUCWGONGYAOJJ-UHFFFAOYSA-N
Compound name
1-chloro-1,1-difluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

127.98405 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.99133 115.2
[M+Na]+ 150.97327 125.0
[M-H]- 126.97677 113.6
[M+NH4]+ 146.01787 138.2
[M+K]+ 166.94721 123.3
[M+H-H2O]+ 110.98131 111.1
[M+HCOO]- 172.98225 131.3
[M+CH3COO]- 186.99790 169.7
[M+Na-2H]- 148.95872 122.0
[M]+ 127.98350 114.3
[M]- 127.98460 114.3
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