CID 643180

1-bromo-4-(fluoromethyl)benzene

Structural Information

Molecular Formula
C7H6BrF
SMILES
C1=CC(=CC=C1CF)Br
InChI
InChI=1S/C7H6BrF/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2
InChIKey
LFTYKVGDROWKQC-UHFFFAOYSA-N
Compound name
1-bromo-4-(fluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

187.96368 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe