CID 79099

1,1,2-trichloro-2,3,3-trifluorocyclobutane

Structural Information

Molecular Formula
C4H2Cl3F3
SMILES
C1C(C(C1(Cl)Cl)(F)Cl)(F)F
InChI
InChI=1S/C4H2Cl3F3/c5-2(6)1-3(8,9)4(2,7)10/h1H2
InChIKey
YMUQFZZNJWUHMC-UHFFFAOYSA-N
Compound name
1,1,2-trichloro-2,3,3-trifluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

211.91742 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.92470 116.3
[M+Na]+ 234.90664 128.9
[M-H]- 210.91014 116.2
[M+NH4]+ 229.95124 136.2
[M+K]+ 250.88058 125.4
[M+H-H2O]+ 194.91468 112.1
[M+HCOO]- 256.91562 122.6
[M+CH3COO]- 270.93127 186.8
[M+Na-2H]- 232.89209 123.7
[M]+ 211.91687 123.2
[M]- 211.91797 123.2
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