CID 83854694

2-cyclopropyl-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C5H6F2O2
SMILES
C1CC1C(C(=O)O)(F)F
InChI
InChI=1S/C5H6F2O2/c6-5(7,4(8)9)3-1-2-3/h3H,1-2H2,(H,8,9)
InChIKey
ACYULLZJZXDWRB-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

136.03358 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04086 119.4
[M+Na]+ 159.02280 128.9
[M-H]- 135.02630 120.5
[M+NH4]+ 154.06740 135.5
[M+K]+ 174.99674 126.8
[M+H-H2O]+ 119.03084 112.9
[M+HCOO]- 181.03178 138.5
[M+CH3COO]- 195.04743 173.3
[M+Na-2H]- 157.00825 125.6
[M]+ 136.03303 118.4
[M]- 136.03413 118.4
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