CID 21336208

920501-66-2

Structural Information

Molecular Formula
C10H8ClFO2
SMILES
C1CC1(C2=CC(=C(C=C2)F)Cl)C(=O)O
InChI
InChI=1S/C10H8ClFO2/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKey
JBPVKSSAUZFGJP-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

214.01968 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02696 134.9
[M+Na]+ 237.00890 146.3
[M-H]- 213.01240 140.5
[M+NH4]+ 232.05350 151.1
[M+K]+ 252.98284 142.0
[M+H-H2O]+ 197.01694 130.0
[M+HCOO]- 259.01788 152.2
[M+CH3COO]- 273.03353 185.8
[M+Na-2H]- 234.99435 140.5
[M]+ 214.01913 138.2
[M]- 214.02023 138.2
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