CID 12844396

3-bromobenzyl fluoride

Structural Information

Molecular Formula
C7H6BrF
SMILES
C1=CC(=CC(=C1)Br)CF
InChI
InChI=1S/C7H6BrF/c8-7-3-1-2-6(4-7)5-9/h1-4H,5H2
InChIKey
MHHSSQKXFRACNN-UHFFFAOYSA-N
Compound name
1-bromo-3-(fluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

187.96368 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.97096 129.1
[M+Na]+ 210.95290 141.5
[M-H]- 186.95640 134.5
[M+NH4]+ 205.99750 152.6
[M+K]+ 226.92684 130.8
[M+H-H2O]+ 170.96094 129.3
[M+HCOO]- 232.96188 150.8
[M+CH3COO]- 246.97753 180.1
[M+Na-2H]- 208.93835 138.0
[M]+ 187.96313 146.2
[M]- 187.96423 146.2
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

patents stripe