CID 2782823

2,2-difluorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C4H4F2O2
SMILES
C1C(C1(F)F)C(=O)O
InChI
InChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
InChIKey
KMLMOVWSQPHQME-UHFFFAOYSA-N
Compound name
2,2-difluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1848
Patents

122.01794 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02522 115.3
[M+Na]+ 145.00716 126.4
[M-H]- 121.01066 117.1
[M+NH4]+ 140.05176 134.1
[M+K]+ 160.98110 125.1
[M+H-H2O]+ 105.01520 110.0
[M+HCOO]- 167.01614 135.9
[M+CH3COO]- 181.03179 170.8
[M+Na-2H]- 142.99261 121.9
[M]+ 122.01739 115.3
[M]- 122.01849 115.3
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