CID 75481717

1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H8ClF3O2
SMILES
C1CC1(C2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)O
InChI
InChI=1S/C11H8ClF3O2/c12-8-2-1-6(11(13,14)15)5-7(8)10(3-4-10)9(16)17/h1-2,5H,3-4H2,(H,16,17)
InChIKey
GXAINMQIFBFWRP-UHFFFAOYSA-N
Compound name
1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.01648 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02376 158.0
[M+Na]+ 287.00570 167.7
[M+NH4]+ 282.05030 164.9
[M+K]+ 302.97964 163.1
[M-H]- 263.00920 161.5
[M+Na-2H]- 284.99115 165.2
[M]+ 264.01593 161.4
[M]- 264.01703 161.4
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

No patent data available for this compound.