CID 19743030

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

Structural Information

Molecular Formula
C10H10BrF3
SMILES
CCC(C1=CC=C(C=C1)C(F)(F)F)Br
InChI
InChI=1S/C10H10BrF3/c1-2-9(11)7-3-5-8(6-4-7)10(12,13)14/h3-6,9H,2H2,1H3
InChIKey
ZIYZKUKDQBZDSA-UHFFFAOYSA-N
Compound name
1-(1-bromopropyl)-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

265.9918 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99908 152.8
[M+Na]+ 288.98102 164.3
[M-H]- 264.98452 155.4
[M+NH4]+ 284.02562 173.2
[M+K]+ 304.95496 152.5
[M+H-H2O]+ 248.98906 150.9
[M+HCOO]- 310.99000 169.0
[M+CH3COO]- 325.00565 194.1
[M+Na-2H]- 286.96647 157.8
[M]+ 265.99125 167.3
[M]- 265.99235 167.3
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