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]+ 268.97835 150.9
[M+Na]+ 290.96029 163.2
[M-H]- 266.96379 152.5
[M+NH4]+ 286.00489 170.7
[M+K]+ 306.93423 150.8
[M+H-H2O]+ 250.96833 149.2
[M+HCOO]- 312.96927 167.0
[M+CH3COO]- 326.98492 191.6
[M+Na-2H]- 288.94574 156.5
[M]+ 267.97052 165.6
[M]- 267.97162 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.