CID 84716404

1613330-49-6

Structural Information

Molecular Formula
C6H8F2O2
SMILES
C1C(CC1C(=O)O)C(F)F
InChI
InChI=1S/C6H8F2O2/c7-5(8)3-1-4(2-3)6(9)10/h3-5H,1-2H2,(H,9,10)
InChIKey
XRSUGPIWOGKMJP-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

150.04924 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.056516 128.3
[M+Na]+ 173.038458 134.0
[M-H]- 149.041964 128.0
[M+NH4]+ 168.083063 142.1
[M+K]+ 189.012398 136.2
[M+H-H2O]+ 133.046500 116.9
[M+HCOO]- 195.047441 145.4
[M+CH3COO]- 209.063091 177.4
[M+Na-2H]- 171.023906 130.0
[M]+ 150.04869142 132.2
[M]- 150.04978858 132.2
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