CID 2782825

2,2-difluoropropionic acid

Structural Information

Molecular Formula
C3H4F2O2
SMILES
CC(C(=O)O)(F)F
InChI
InChI=1S/C3H4F2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
InChIKey
PMWGIVRHUIAIII-UHFFFAOYSA-N
Compound name
2,2-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2396
Patents

110.01794 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.02522 114.5
[M+Na]+ 133.00716 123.2
[M-H]- 109.01066 111.5
[M+NH4]+ 128.05176 136.7
[M+K]+ 148.98110 123.2
[M+H-H2O]+ 93.015200 109.7
[M+HCOO]- 155.01614 133.9
[M+CH3COO]- 169.03179 165.0
[M+Na-2H]- 130.99261 121.1
[M]+ 110.01739 111.4
[M]- 110.01849 111.4
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