CID 121232358

(2-bromo-6-fluoro-4-methylphenyl)methanol

Structural Information

Molecular Formula
C8H8BrFO
SMILES
CC1=CC(=C(C(=C1)Br)CO)F
InChI
InChI=1S/C8H8BrFO/c1-5-2-7(9)6(4-11)8(10)3-5/h2-3,11H,4H2,1H3
InChIKey
IDDIWMQWHDZJSQ-UHFFFAOYSA-N
Compound name
(2-bromo-6-fluoro-4-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.97426 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98154 136.4
[M+Na]+ 240.96348 149.6
[M-H]- 216.96698 141.0
[M+NH4]+ 236.00808 158.6
[M+K]+ 256.93742 138.1
[M+H-H2O]+ 200.97152 136.5
[M+HCOO]- 262.97246 156.5
[M+CH3COO]- 276.98811 184.3
[M+Na-2H]- 238.94893 142.9
[M]+ 217.97371 154.0
[M]- 217.97481 154.0
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.