CID 178200098

2-(3-bromo-5-methylphenyl)-2-fluoroethan-1-ol

Structural Information

Molecular Formula
C9H10BrFO
SMILES
CC1=CC(=CC(=C1)Br)C(CO)F
InChI
InChI=1S/C9H10BrFO/c1-6-2-7(9(11)5-12)4-8(10)3-6/h2-4,9,12H,5H2,1H3
InChIKey
PUSYVDGIABMQKC-UHFFFAOYSA-N
Compound name
2-(3-bromo-5-methylphenyl)-2-fluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.98991 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.997186 142.4
[M+Na]+ 254.979128 154.0
[M-H]- 230.982634 146.5
[M+NH4]+ 250.023733 163.7
[M+K]+ 270.953068 142.7
[M+H-H2O]+ 214.987170 142.2
[M+HCOO]- 276.988111 161.2
[M+CH3COO]- 291.003761 186.8
[M+Na-2H]- 252.964576 147.8
[M]+ 231.98936142 159.4
[M]- 231.99045858 159.4
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.