CID 13781597

2,3-difluoropropanoic acid

Structural Information

Molecular Formula
C3H4F2O2
SMILES
C(C(C(=O)O)F)F
InChI
InChI=1S/C3H4F2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
InChIKey
NUBAOKTWWIMWEK-UHFFFAOYSA-N
Compound name
2,3-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

176
Patents

110.01794 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.02522 115.3
[M+Na]+ 133.00716 123.2
[M-H]- 109.01066 112.0
[M+NH4]+ 128.05176 137.2
[M+K]+ 148.98110 123.3
[M+H-H2O]+ 93.015200 109.7
[M+HCOO]- 155.01614 135.1
[M+CH3COO]- 169.03179 165.6
[M+Na-2H]- 130.99261 119.8
[M]+ 110.01739 111.9
[M]- 110.01849 111.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe