CID 31376

1,3-dichlorotetrafluoroacetone

Structural Information

Molecular Formula
C3Cl2F4O
SMILES
C(=O)(C(F)(F)Cl)C(F)(F)Cl
InChI
InChI=1S/C3Cl2F4O/c4-2(6,7)1(10)3(5,8)9
InChIKey
QRKKTXWUDLJYCV-UHFFFAOYSA-N
Compound name
1,3-dichloro-1,1,3,3-tetrafluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

767
Patents

197.92624 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.93352 123.3
[M+Na]+ 220.91546 133.9
[M-H]- 196.91896 118.8
[M+NH4]+ 215.96006 143.7
[M+K]+ 236.88940 129.9
[M+H-H2O]+ 180.92350 118.4
[M+HCOO]- 242.92444 130.9
[M+CH3COO]- 256.94009 180.7
[M+Na-2H]- 218.90091 129.1
[M]+ 197.92569 120.4
[M]- 197.92679 120.4
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