CID 136506

1-chloro-2,3,3-trifluorocyclobutene

Structural Information

Molecular Formula
C4H2ClF3
SMILES
C1C(=C(C1(F)F)F)Cl
InChI
InChI=1S/C4H2ClF3/c5-2-1-4(7,8)3(2)6/h1H2
InChIKey
NTBUBNMKBVNZBB-UHFFFAOYSA-N
Compound name
1-chloro-2,3,3-trifluorocyclobutene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

141.9797 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.986976 112.7
[M+Na]+ 164.968918 124.2
[M-H]- 140.972424 113.8
[M+NH4]+ 160.013523 131.4
[M+K]+ 180.942858 123.6
[M+H-H2O]+ 124.976960 104.0
[M+HCOO]- 186.977901 129.8
[M+CH3COO]- 200.993551 176.5
[M+Na-2H]- 162.954366 119.9
[M]+ 141.97915142 119.9
[M]- 141.98024858 119.9
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