CID 177794848

3-(1,1-difluoroethyl)-5-fluorophenol

Structural Information

Molecular Formula
C8H7F3O
SMILES
CC(C1=CC(=CC(=C1)F)O)(F)F
InChI
InChI=1S/C8H7F3O/c1-8(10,11)5-2-6(9)4-7(12)3-5/h2-4,12H,1H3
InChIKey
ZMUSSVOLHAUCCU-UHFFFAOYSA-N
Compound name
3-(1,1-difluoroethyl)-5-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.0449 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05218 130.0
[M+Na]+ 199.03412 139.9
[M-H]- 175.03762 129.2
[M+NH4]+ 194.07872 150.0
[M+K]+ 215.00806 137.0
[M+H-H2O]+ 159.04216 123.0
[M+HCOO]- 221.04310 148.9
[M+CH3COO]- 235.05875 178.6
[M+Na-2H]- 197.01957 135.8
[M]+ 176.04435 125.8
[M]- 176.04545 125.8
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.