CID 55045807

1-{[3-(bromomethyl)phenoxy]methyl}-2,4-difluorobenzene

Structural Information

Molecular Formula
C14H11BrF2O
SMILES
C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)F)F)CBr
InChI
InChI=1S/C14H11BrF2O/c15-8-10-2-1-3-13(6-10)18-9-11-4-5-12(16)7-14(11)17/h1-7H,8-9H2
InChIKey
NOCWLAROHQZESE-UHFFFAOYSA-N
Compound name
1-[[3-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.99612 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.00340 162.2
[M+Na]+ 334.98534 174.4
[M-H]- 310.98884 169.1
[M+NH4]+ 330.02994 180.9
[M+K]+ 350.95928 161.9
[M+H-H2O]+ 294.99338 159.7
[M+HCOO]- 356.99432 182.1
[M+CH3COO]- 371.00997 202.0
[M+Na-2H]- 332.97079 167.4
[M]+ 311.99557 180.2
[M]- 311.99667 180.2
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.