CID 16218396

3,3-difluoropropanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

411
Patents

110.01794 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

patents stripe