CID 77685

1,1-dichloro-2,2,3,3-tetrafluoropropane

Structural Information

Molecular Formula
C3H2Cl2F4
SMILES
C(C(C(Cl)Cl)(F)F)(F)F
InChI
InChI=1S/C3H2Cl2F4/c4-1(5)3(8,9)2(6)7/h1-2H
InChIKey
CNRFMWHVBWFZAC-UHFFFAOYSA-N
Compound name
1,1-dichloro-2,2,3,3-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

183.94698 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.95426 121.4
[M+Na]+ 206.93620 131.1
[M-H]- 182.93970 116.5
[M+NH4]+ 201.98080 142.3
[M+K]+ 222.91014 127.3
[M+H-H2O]+ 166.94424 116.3
[M+HCOO]- 228.94518 129.2
[M+CH3COO]- 242.96083 180.3
[M+Na-2H]- 204.92165 125.3
[M]+ 183.94643 117.8
[M]- 183.94753 117.8
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