CID 117889554

3,3-difluoropropanoyl chloride

Structural Information

Molecular Formula
C3H3ClF2O
SMILES
C(C(F)F)C(=O)Cl
InChI
InChI=1S/C3H3ClF2O/c4-2(7)1-3(5)6/h3H,1H2
InChIKey
LXXRXRFLWIGWDU-UHFFFAOYSA-N
Compound name
3,3-difluoropropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

127.98405 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.99133 115.5
[M+Na]+ 150.97327 124.6
[M-H]- 126.97677 113.5
[M+NH4]+ 146.01787 138.3
[M+K]+ 166.94721 122.9
[M+H-H2O]+ 110.98131 110.9
[M+HCOO]- 172.98225 132.2
[M+CH3COO]- 186.99790 170.3
[M+Na-2H]- 148.95872 120.4
[M]+ 127.98350 114.5
[M]- 127.98460 114.5
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