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

23
Patents

150.04924 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05652 123.7
[M+Na]+ 173.03846 132.8
[M-H]- 149.04196 124.7
[M+NH4]+ 168.08306 139.3
[M+K]+ 189.01240 130.5
[M+H-H2O]+ 133.04650 117.1
[M+HCOO]- 195.04744 142.6
[M+CH3COO]- 209.06309 176.2
[M+Na-2H]- 171.02391 129.5
[M]+ 150.04869 123.1
[M]- 150.04979 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