CID 154176405

Methyl 3,3,4,4-tetrafluorocyclobut-1-ene-1-carboxylate

Structural Information

Molecular Formula
C6H4F4O2
SMILES
COC(=O)C1=CC(C1(F)F)(F)F
InChI
InChI=1S/C6H4F4O2/c1-12-4(11)3-2-5(7,8)6(3,9)10/h2H,1H3
InChIKey
SBESZLUUOIHKHP-UHFFFAOYSA-N
Compound name
methyl 3,3,4,4-tetrafluorocyclobutene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.01474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02202 130.3
[M+Na]+ 207.00396 140.6
[M-H]- 183.00746 130.5
[M+NH4]+ 202.04856 148.0
[M+K]+ 222.97790 142.3
[M+H-H2O]+ 167.01200 120.3
[M+HCOO]- 229.01294 149.3
[M+CH3COO]- 243.02859 184.2
[M+Na-2H]- 204.98941 135.4
[M]+ 184.01419 136.8
[M]- 184.01529 136.8
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