CID 83854688

3-cyclopropyl-2,2-difluoropropanoic acid

Structural Information

Molecular Formula
C6H8F2O2
SMILES
C1CC1CC(C(=O)O)(F)F
InChI
InChI=1S/C6H8F2O2/c7-6(8,5(9)10)3-4-1-2-4/h4H,1-3H2,(H,9,10)
InChIKey
YHMLWPWHDCDWJI-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2,2-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

150.04924 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.056516 123.7
[M+Na]+ 173.038458 132.8
[M-H]- 149.041964 124.7
[M+NH4]+ 168.083063 139.3
[M+K]+ 189.012398 130.5
[M+H-H2O]+ 133.046500 117.1
[M+HCOO]- 195.047441 142.6
[M+CH3COO]- 209.063091 176.2
[M+Na-2H]- 171.023906 129.5
[M]+ 150.04869142 123.1
[M]- 150.04978858 123.1
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