CID 124103000

2053503-53-8

Structural Information

Molecular Formula
C11H8F6O3
SMILES
COC(C1=CC=C(C=C1)C(=O)O)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H8F6O3/c1-20-9(10(12,13)14,11(15,16)17)7-4-2-6(3-5-7)8(18)19/h2-5H,1H3,(H,18,19)
InChIKey
LWZYYBWRXNBOGH-UHFFFAOYSA-N
Compound name
4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

302.03775 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04503 176.6
[M+Na]+ 325.02697 180.1
[M+NH4]+ 320.07157 177.4
[M+K]+ 341.00091 177.5
[M-H]- 301.03047 168.3
[M+Na-2H]- 323.01242 175.8
[M]+ 302.03720 174.3
[M]- 302.03830 174.3
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

patents stripe