CID 71743770

2-(3,3-difluorocyclobutyl)acetic acid

Structural Information

Molecular Formula
C6H8F2O2
SMILES
C1C(CC1(F)F)CC(=O)O
InChI
InChI=1S/C6H8F2O2/c7-6(8)2-4(3-6)1-5(9)10/h4H,1-3H2,(H,9,10)
InChIKey
WLOWIPYSYJEWHB-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

150.04924 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05652 127.9
[M+Na]+ 173.03846 134.8
[M-H]- 149.04196 128.1
[M+NH4]+ 168.08306 143.9
[M+K]+ 189.01240 136.5
[M+H-H2O]+ 133.04650 118.1
[M+HCOO]- 195.04744 146.0
[M+CH3COO]- 209.06309 176.2
[M+Na-2H]- 171.02391 132.1
[M]+ 150.04869 132.9
[M]- 150.04979 132.9
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