CID 93954685

2055841-07-9

Structural Information

Molecular Formula
C10H8ClFO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC(=C(C=C2)Cl)F
InChI
InChI=1S/C10H8ClFO2/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7+/m0/s1
InChIKey
WLBMRAWVMMPUAI-NKWVEPMBSA-N
Compound name
(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01968 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02696 134.1
[M+Na]+ 237.00890 145.6
[M-H]- 213.01240 139.6
[M+NH4]+ 232.05350 148.6
[M+K]+ 252.98284 140.3
[M+H-H2O]+ 197.01694 128.2
[M+HCOO]- 259.01788 151.5
[M+CH3COO]- 273.03353 187.4
[M+Na-2H]- 234.99435 138.0
[M]+ 214.01913 137.3
[M]- 214.02023 137.3
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

No patent data available for this compound.