CID 125466289

1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol

Structural Information

Molecular Formula
C10H12BrFO
SMILES
CC(C)(CC1=CC(=C(C=C1)Br)F)O
InChI
InChI=1S/C10H12BrFO/c1-10(2,13)6-7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3
InChIKey
HQWRVCMLINQPLE-UHFFFAOYSA-N
Compound name
1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

246.00555 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01283 147.5
[M+Na]+ 268.99477 159.4
[M-H]- 244.99827 151.6
[M+NH4]+ 264.03937 168.4
[M+K]+ 284.96871 147.7
[M+H-H2O]+ 229.00281 147.5
[M+HCOO]- 291.00375 165.4
[M+CH3COO]- 305.01940 189.2
[M+Na-2H]- 266.98022 154.0
[M]+ 246.00500 164.9
[M]- 246.00610 164.9
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