CID 145913722

2377032-45-4

Structural Information

Molecular Formula
C11H7F5O2
SMILES
C1C(C1(F)F)C2=CC(=CC(=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C11H7F5O2/c12-10(13)4-8(10)5-1-6(9(17)18)3-7(2-5)11(14,15)16/h1-3,8H,4H2,(H,17,18)
InChIKey
ZXLNIOSGNPSJNR-UHFFFAOYSA-N
Compound name
3-(2,2-difluorocyclopropyl)-5-(trifluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

266.03662 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04390 140.9
[M+Na]+ 289.02584 152.6
[M-H]- 265.02934 141.8
[M+NH4]+ 284.07044 154.2
[M+K]+ 304.99978 148.4
[M+H-H2O]+ 249.03388 132.1
[M+HCOO]- 311.03482 156.4
[M+CH3COO]- 325.05047 196.7
[M+Na-2H]- 287.01129 144.5
[M]+ 266.03607 137.7
[M]- 266.03717 137.7
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