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

74
Patents

150.04924 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05652 128.5
[M+Na]+ 173.03846 136.3
[M-H]- 149.04196 129.2
[M+NH4]+ 168.08306 146.5
[M+K]+ 189.01240 138.1
[M+H-H2O]+ 133.04650 120.2
[M+HCOO]- 195.04744 146.6
[M+CH3COO]- 209.06309 176.0
[M+Na-2H]- 171.02391 133.8
[M]+ 150.04869 133.9
[M]- 150.04979 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