CID 95396528

1955548-02-3

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=C(C(=CC=C2)F)F
InChI
InChI=1S/C10H8F2O2/c11-8-3-1-2-5(9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7+/m0/s1
InChIKey
DMOJFERUHBBKLX-NKWVEPMBSA-N
Compound name
(1R,2R)-2-(2,3-difluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04924 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05652 131.8
[M+Na]+ 221.03846 142.8
[M-H]- 197.04196 136.3
[M+NH4]+ 216.08306 146.0
[M+K]+ 237.01240 138.7
[M+H-H2O]+ 181.04650 124.2
[M+HCOO]- 243.04744 152.6
[M+CH3COO]- 257.06309 186.4
[M+Na-2H]- 219.02391 135.5
[M]+ 198.04869 131.9
[M]- 198.04979 131.9
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

No patent data available for this compound.