CID 23446853

227607-43-4

Structural Information

Molecular Formula
C6H8F2O2
SMILES
CC1(CC(C1)(F)F)C(=O)O
InChI
InChI=1S/C6H8F2O2/c1-5(4(9)10)2-6(7,8)3-5/h2-3H2,1H3,(H,9,10)
InChIKey
IBUYIDRQPFGVIL-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

150.04924 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.056516 128.5
[M+Na]+ 173.038458 136.3
[M-H]- 149.041964 129.2
[M+NH4]+ 168.083063 146.5
[M+K]+ 189.012398 138.1
[M+H-H2O]+ 133.046500 120.2
[M+HCOO]- 195.047441 146.6
[M+CH3COO]- 209.063091 176.0
[M+Na-2H]- 171.023906 133.8
[M]+ 150.04869142 133.9
[M]- 150.04978858 133.9
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