CID 2782499

3-chlorotetrafluoropropionyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

197.92624 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

patents stripe