CID 155973822

3-(difluoromethylidene)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H6F2O2
SMILES
C1C(CC1=C(F)F)C(=O)O
InChI
InChI=1S/C6H6F2O2/c7-5(8)3-1-4(2-3)6(9)10/h4H,1-2H2,(H,9,10)
InChIKey
KKJUPVGXSLLVEI-UHFFFAOYSA-N
Compound name
3-(difluoromethylidene)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.03358 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04086 127.1
[M+Na]+ 171.02280 133.2
[M-H]- 147.02630 127.0
[M+NH4]+ 166.06740 141.1
[M+K]+ 186.99674 134.8
[M+H-H2O]+ 131.03084 115.9
[M+HCOO]- 193.03178 144.5
[M+CH3COO]- 207.04743 175.9
[M+Na-2H]- 169.00825 128.9
[M]+ 148.03303 130.3
[M]- 148.03413 130.3
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.