CID 15157497

1-(3-bromopropoxy)-3-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C10H10BrF3O
SMILES
C1=CC(=CC(=C1)OCCCBr)C(F)(F)F
InChI
InChI=1S/C10H10BrF3O/c11-5-2-6-15-9-4-1-3-8(7-9)10(12,13)14/h1,3-4,7H,2,5-6H2
InChIKey
IJXNDTUEYXZHEY-UHFFFAOYSA-N
Compound name
1-(3-bromopropoxy)-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

281.98672 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99400 155.7
[M+Na]+ 304.97594 167.3
[M-H]- 280.97944 158.1
[M+NH4]+ 300.02054 175.4
[M+K]+ 320.94988 155.6
[M+H-H2O]+ 264.98398 153.4
[M+HCOO]- 326.98492 172.9
[M+CH3COO]- 341.00057 195.2
[M+Na-2H]- 302.96139 161.8
[M]+ 281.98617 172.1
[M]- 281.98727 172.1
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