CID 118875291

[3-(bromomethyl)-4-fluorophenyl]methanol

Structural Information

Molecular Formula
C8H8BrFO
SMILES
C1=CC(=C(C=C1CO)CBr)F
InChI
InChI=1S/C8H8BrFO/c9-4-7-3-6(5-11)1-2-8(7)10/h1-3,11H,4-5H2
InChIKey
MQKWIQOMSYBXKF-UHFFFAOYSA-N
Compound name
[3-(bromomethyl)-4-fluorophenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.97426 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.981536 137.2
[M+Na]+ 240.963478 149.5
[M-H]- 216.966984 141.4
[M+NH4]+ 236.008083 159.0
[M+K]+ 256.937418 137.9
[M+H-H2O]+ 200.971520 137.1
[M+HCOO]- 262.972461 157.2
[M+CH3COO]- 276.988111 183.2
[M+Na-2H]- 238.948926 144.3
[M]+ 217.97371142 154.5
[M]- 217.97480858 154.5
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