CID 19600291

1-(3-bromopropyl)-4-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C10H10BrF3
SMILES
C1=CC(=CC=C1CCCBr)C(F)(F)F
InChI
InChI=1S/C10H10BrF3/c11-7-1-2-8-3-5-9(6-4-8)10(12,13)14/h3-6H,1-2,7H2
InChIKey
JWKFKVXKBMORNI-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

265.9918 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99908 160.0
[M+Na]+ 288.98102 161.7
[M+NH4]+ 284.02562 163.3
[M+K]+ 304.95496 160.2
[M-H]- 264.98452 157.0
[M+Na-2H]- 286.96647 161.5
[M]+ 265.99125 158.2
[M]- 265.99235 158.2
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