CID 11321549

74457-55-9

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1=CC=C(C=C1)[C@@H]2[C@H](C2(F)F)C(=O)O
InChI
InChI=1S/C10H8F2O2/c11-10(12)7(8(10)9(13)14)6-4-2-1-3-5-6/h1-5,7-8H,(H,13,14)/t7-,8+/m1/s1
InChIKey
ZJTJSILEHUGFMC-SFYZADRCSA-N
Compound name
(1S,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04924 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05652 133.2
[M+Na]+ 221.03846 144.1
[M-H]- 197.04196 137.8
[M+NH4]+ 216.08306 149.1
[M+K]+ 237.01240 141.1
[M+H-H2O]+ 181.04650 126.5
[M+HCOO]- 243.04744 153.7
[M+CH3COO]- 257.06309 184.8
[M+Na-2H]- 219.02391 138.6
[M]+ 198.04869 133.4
[M]- 198.04979 133.4
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

No patent data available for this compound.