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

135
Patents

150.04924 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.056516 127.9
[M+Na]+ 173.038458 134.8
[M-H]- 149.041964 128.1
[M+NH4]+ 168.083063 143.9
[M+K]+ 189.012398 136.5
[M+H-H2O]+ 133.046500 118.1
[M+HCOO]- 195.047441 146.0
[M+CH3COO]- 209.063091 176.2
[M+Na-2H]- 171.023906 132.1
[M]+ 150.04869142 132.9
[M]- 150.04978858 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