CID 165880067

656-77-9

Structural Information

Molecular Formula
C6H5F3O2
SMILES
COC(=O)C1=C(C(C1)(F)F)F
InChI
InChI=1S/C6H5F3O2/c1-11-5(10)3-2-6(8,9)4(3)7/h2H2,1H3
InChIKey
DBIHVPVODSIKKQ-UHFFFAOYSA-N
Compound name
methyl 2,3,3-trifluorocyclobutene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02417 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03145 126.9
[M+Na]+ 189.01339 136.3
[M-H]- 165.01689 127.9
[M+NH4]+ 184.05799 143.4
[M+K]+ 204.98733 138.3
[M+H-H2O]+ 149.02143 116.3
[M+HCOO]- 211.02237 147.0
[M+CH3COO]- 225.03802 181.6
[M+Na-2H]- 186.99884 131.5
[M]+ 166.02362 134.2
[M]- 166.02472 134.2
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

No patent data available for this compound.