CID 165884228

3-(3-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol

Structural Information

Molecular Formula
C9H8BrF3O
SMILES
C1=CC(=C(C(=C1)Br)F)C(CCO)(F)F
InChI
InChI=1S/C9H8BrF3O/c10-7-3-1-2-6(8(7)11)9(12,13)4-5-14/h1-3,14H,4-5H2
InChIKey
BMIPEOMKWSAZPN-UHFFFAOYSA-N
Compound name
3-(3-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.97107 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.978346 150.9
[M+Na]+ 290.960288 163.2
[M-H]- 266.963794 152.5
[M+NH4]+ 286.004893 170.7
[M+K]+ 306.934228 150.8
[M+H-H2O]+ 250.968330 149.2
[M+HCOO]- 312.969271 167.0
[M+CH3COO]- 326.984921 191.6
[M+Na-2H]- 288.945736 156.5
[M]+ 267.97052142 165.6
[M]- 267.97161858 165.6
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.