CID 22223104

1-bromo-2-fluoro-4-pentylbenzene

Structural Information

Molecular Formula
C11H14BrF
SMILES
CCCCCC1=CC(=C(C=C1)Br)F
InChI
InChI=1S/C11H14BrF/c1-2-3-4-5-9-6-7-10(12)11(13)8-9/h6-8H,2-5H2,1H3
InChIKey
PLRSROOKLLCMSX-UHFFFAOYSA-N
Compound name
1-bromo-2-fluoro-4-pentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

244.02629 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03357 147.2
[M+Na]+ 267.01551 158.9
[M-H]- 243.01901 152.3
[M+NH4]+ 262.06011 168.9
[M+K]+ 282.98945 147.1
[M+H-H2O]+ 227.02355 146.7
[M+HCOO]- 289.02449 167.6
[M+CH3COO]- 303.04014 192.4
[M+Na-2H]- 265.00096 153.3
[M]+ 244.02574 166.0
[M]- 244.02684 166.0
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

patents stripe